SCHEMBL5053789

SCHEMBL5053789

C#CCC(CCC)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.62
AKR1A1 P14550 1/20 0.62
CHRM3 P20309 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
DRD3 P35462 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GRIK1 P39086 7/20 0.52
GRIK2 Q13002 7/20 0.52
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 3/20 0.48
SLC1A3 P43003 2/20 0.48
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7557794 1.00 CHRM1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7551496 0.88 CA2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8847118 0.87 CHRM1 (0.47) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19306557 0.86 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7552288 0.86 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3839934 0.86 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7552503 0.84 GRIK1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3864872 0.84 GRIK1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3785993 0.84 GRIK1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3857718 0.84 GRIK1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008131940-A2 COMBINED IMMUNOLOGICAL AGENT AND SENSITIZING AGENT FOR THE TREATMENT OF CANCER Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2008-11-06 WO claimed
US-20080267977-A1 Combined immunological agent and sensitizing agent for the treatment of cancer FRIEDRICH-ALEXANDER UNIVERSITY OF ERLANGEN-NUREMBERG (DE) 2008-10-30 US claimed
US-20050038113-A1 Valproic acid and derivatives for the combinatorial therapeutic treatment of human cancers and for the treatment of tumor metastasis and minimal residual disease G2M CANCER DRUGS AG (DE) 2005-02-17 US claimed
US-RE37670-E1 Antiproliferative and neurotrophic molecules AMERICAN BIOGENETICS INC. 2002-04-23 US claimed
US-20020013367-A1 Antiproliferative and neurotrophic molecules NAU HEINZ (DE) 2002-01-31 US claimed
US-6300373-B1 CONTACTING NEURONAL CELLS WITH A NEUROTROPHIC AMOUNT CARBOXYLIC ACID DERIVATIVE FOR PROVIDING NEUROTROPHIC ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. 2001-10-09 US claimed
EP-0778820-B1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES (US) 2001-05-02 EP claimed
US-5672746-A UNSATURATED ALKYL CARBOXYLIC ACIDS(AND THEIR SALTS) FOR TREATMENT OR PREVENTION OF NERVOUS SYSTEM DISORDERS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-09-30 US claimed
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP claimed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11260130-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: IV Frequency Therapeutics, Inc. (US) 2022-03-01 US disclosed
US-11033546-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: I Frequency Therapeutics, Inc. (US) 2021-06-15 US disclosed
US-20190201398-A1 SOLUBILIZED COMPOSITIONS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING A GSK3 INHIBITOR: I Frequency Therapeutics, Inc. 2019-07-04 US disclosed
US-20190093079-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING GSK-3-ALPHA INHIBITORS Frequency Therapeutics, Inc. 2019-03-28 US disclosed
US-5672746-A UNSATURATED ALKYL CARBOXYLIC ACIDS(AND THEIR SALTS) FOR TREATMENT OR PREVENTION OF NERVOUS SYSTEM DISORDERS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-09-30 US disclosed
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP disclosed
EP-0778820-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1997-06-18 EP disclosed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO disclosed
WO-1996006821-A1 NEUROTROPHIC AND ANTIPROLIFERATIVE COMPOUNDS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1996-03-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050038113-A1 Valproic acid and derivatives for the combinatorial therapeutic treatment of human cancers and for the treatment of tumor metastasis and minimal residual disease HDAC2, HDAC5, HDAC1 CHRM1 3444/4885AKR1A1 1278/4885CHRM3 3376/4885
US-20190093079-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING GSK-3-ALPHA INHIBITORS GSK3A, GSK3B, NOTCH3 CHRM1 4762/4885AKR1A1 3489/4885CHRM3 4495/4885
US-20020013367-A1 Antiproliferative and neurotrophic molecules BDNF, NGF, NTRK2 CHRM1 4273/4885AKR1A1 2994/4885CHRM3 4111/4885
US-11033546-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: I GSK3B, GSK3A, GSKIP CHRM1 4845/4885AKR1A1 2497/4885CHRM3 4772/4885
US-20190201398-A1 SOLUBILIZED COMPOSITIONS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING A GSK3 INHIBITOR: I GSK3B, GSK3A, GSKIP CHRM1 4845/4885AKR1A1 2497/4885CHRM3 4772/4885
US-11260130-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: IV GSK3B, GSK3A, GSKIP CHRM1 4854/4885AKR1A1 2364/4885CHRM3 4768/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.