SCHEMBL139672

SCHEMBL139672

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.60
AKR1A1 P14550 1/20 0.60
CHRM3 P20309 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GRIK1 P39086 6/20 0.56
GRIK2 Q13002 6/20 0.56
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 3/20 0.47
SLC1A3 P43003 2/20 0.47
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.41

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
SCHEMBL3383408 1.00 CHRM1 (0.60) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5519522 1.00 CHRM1 (0.60) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25944554 0.86 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25944552 0.86 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29030273 0.86 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11748330 0.85 GRIK1 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL576209 0.83 GRIK1 (0.60) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7082795 0.82 GRIK1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7085892 0.82 GRIK1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7545224 0.77 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114828841-A Use of valproic acid for reducing post-operative scarring after glaucoma surgery 参天制药株式会社 2022-07-29 CN claimed
WO-2021118469-A1 USE OF VALPROIC ACID FOR REDUCING POST-OPERATIVE SCARRING FOLLOWING A GLAUCOMA SURGERY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 WO claimed
US-20020156320-A1 Enantioselective synthesis of valproic acid analogues NAU HEINZ (DE) 2002-10-24 US claimed
US-6458840-B2 2-N-PROPYL-4-HEXYNOIC ACID; REDUCED ADVERSE EFFECTS INCLUDING NEUROTOXICITY AND TERATOGENIC POTENTIAL COMPARED TO VALPROIC ACID AMERICAN BIOGENETIC SCIENCES, INC. 2002-10-01 US claimed
US-20010031789-A1 Use of valproic acid analog for the treatment and prevention of migraine and affective illness AMERICAN BIOGENETIC SCIENCES, INC. 2001-10-18 US claimed
US-6268396-B1 ADMINISTERING 2-N-PROPYL-4-HEXYNOIC ACID AMERICAN BIOGENETIC SCIENCES, INC. 2001-07-31 US claimed
EP-1089725-A1 THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP claimed
WO-1999066920-A1 THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1999-12-29 WO claimed
US-5786380-A MODIFIED VALPROIC ACID NAU, HEINZ (DE) 1998-07-28 US claimed
US-20230015595-A1 USE OF VALPROIC ACID FOR REDUCING POST-OPERATIVE SCARRING FOLLOWING A GLAUCOMA SURGERY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
CN-114828841-A Use of valproic acid for reducing post-operative scarring after glaucoma surgery 参天制药株式会社 2022-07-29 CN disclosed
WO-2021118469-A1 USE OF VALPROIC ACID FOR REDUCING POST-OPERATIVE SCARRING FOLLOWING A GLAUCOMA SURGERY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 WO disclosed
US-10640481-B2 Methods for producing Beraprost and its derivatives LUNG BIOTECHNOLOGY PBC (US) 2020-05-05 US disclosed
US-20190202797-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2019-07-04 US disclosed
EP-1089725-A1 THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP disclosed
WO-1999066920-A1 THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1999-12-29 WO disclosed
WO-1999066920-A1 THE USE OF VALPROIC ACID ANALOG FOR THE TREATMENT AND PREVENTION OF MIGRAINE AND AFFECTIVE ILLNESS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1999-12-29 WO disclosed
US-5786380-A MODIFIED VALPROIC ACID NAU, HEINZ (DE) 1998-07-28 US 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

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

For each of this compound's patents that has machine-readable text (3 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-20020156320-A1 Enantioselective synthesis of valproic acid analogues COASY, ACADM, CYP2A6 CHRM1 3665/4885AKR1A1 297/4885CHRM3 3189/4885
US-10640481-B2 Methods for producing Beraprost and its derivatives UMPS, GGPS1, DHPS CHRM1 4844/4885AKR1A1 986/4885CHRM3 4235/4885
US-20190202797-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES UMPS, GGPS1, DHPS CHRM1 4844/4885AKR1A1 986/4885CHRM3 4235/4885

“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.