Sugi Predict

Sugi Predict / Compounds / SCHEMBL304763

SCHEMBL304763

SCHEMBL304763

CCCCC(CC)C[CH]CC(CC)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 5/20 0.48
▸ TSHR P16473 5/20 0.48
▸ CA2 P00918 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ LMNA P02545 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL4653061 0.95 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL5072593 0.88 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL304826 0.87 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL9615567 0.86 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4920279 0.86 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL565654 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL5057071 0.82 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL382576 0.82 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7758121 0.81 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL10337491 0.80 LMNA (0.45) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259731-A2 BIO-BASED COALESCING SOLVENTS Battelle Memorial Institute (US) 2023-10-18 — — EP disclosed
WO-2022132820-A2 BIO-BASED COALESCING SOLVENTS BATTELLE MEMORIAL INSTITUTE (US) 2022-06-23 — — WO disclosed
US-10551345-B2 Poly and copoly(N-vinylamide)s and their use in capillary electrophoresis APPLIED BIOSYSTEMS, LLC (US) 2020-02-04 — — US disclosed
EP-2496615-B1 ENVIRONMENTALLY FRIENDLY COLORANT COMPOSITIONS AND LATEX PAINTS/COATINGS MOORE BENJAMIN & CO (US) 2019-09-18 — — EP disclosed
US-20170356877-A1 POLY AND COPOLY(N-VINYLAMIDE)S AND THEIR USE IN CAPILLARY ELECTROPHORESIS APPLIED BIOSYSTEMS, LLC (US) 2017-12-14 — — US disclosed
US-9744236-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-29 — — US disclosed
US-9688708-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-27 — — US disclosed
US-9671367-B2 Poly and copoly(N-vinylamide)s and their use in capillary electrophoresis APPLIED BIOSYSTEMS, LLC (US) 2017-06-06 — — US disclosed
US-20160176907-A1 Photolabile Compounds UNIVERSIDAD DE BUENOS AIRES (AR) 2016-06-23 — — US disclosed
US-9273032-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-03-01 — — US disclosed
WO-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 — — WO disclosed
US-6864261-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2005-03-08 — — US disclosed
WO-2005019353-A2 COPOLYMER SURFACTANTS COLUMBIA INSURANCE COMPANY (US) 2005-03-03 — — WO disclosed
US-20050039635-A1 Copolymer surfactants BENJAMIN MOORE & CO. 2005-02-24 — — US disclosed
US-20050025741-A1 Copolymers with (meth)acrylamides; improved separation of polynucleotides APPLIED BIOSYSTEMS, LLC 2005-02-03 — — US disclosed
WO-2004104054-A1 POLY AND COPOLY (N-VINYLAMIDE)S AND THEIR USE IN CAPILLARY ELECTROPHORESIS APPLERA CORPORATION (US) 2004-12-02 — — WO disclosed
US-20040127501-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2004-07-01 — — US disclosed
WO-2004029044-A1 PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS EURO-CELTIQUE, S.A. (LU) 2004-04-08 — — WO disclosed
US-20040053914-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-18 — — US disclosed
WO-2003093236-A1 1-(PYRID-2-YL)-PIPERAZINE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR INHIBITOR EURO-CELTIQUE, S.A. (LU) 2003-11-13 — — 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 (4 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-20040053914-A1 Therapeutic agents useful for treating pain SMN1; SMN2, OPRM1, PSEN1 ALDH1A1 416/4885TDP1 997/4885CYP3A4 4358/4885
US-20160176907-A1 Photolabile Compounds HMBS, CASP3, CRY1 ALDH1A1 94/4885TDP1 1624/4885CYP3A4 1094/4885
US-20040127501-A1 Therapeutic agents useful for treating pain CACNA1A, GRIN2A, HTT ALDH1A1 516/4885TDP1 690/4885CYP3A4 3931/4885
US-20050025741-A1 Copolymers with (meth)acrylamides; improved separation of polynucleotides POLI, PCNA, POLL ALDH1A1 3357/4885TDP1 337/4885CYP3A4 3975/4885

“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.