SCHEMBL165601

SCHEMBL165601

C=CCc1ccc(S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
XDH P47989 1/20 0.46
MAPT P10636 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB2 P47870 4/20 0.45
CNR2 P34972 4/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
CNR1 P21554 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH2 P05091 1/20 0.45

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
Nitrogen SCHEMBL11130737 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10527833 0.93 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL173301 0.86 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Bromide SCHEMBL8645583 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Phosphine SCHEMBL28908227 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL5569582 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL5496256 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL7816450 0.80 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10693711 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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 1454 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108415221-B Photosensitive resin composition and application thereof 奇美实业股份有限公司 2023-07-28 CN claimed
EP-2168948-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2014-05-07 EP claimed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US claimed
JP-4837864-B2 2011-12-14 JP claimed
JP-4673977-B2 2011-04-20 JP claimed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP claimed
EP-1642567-B1 Colouring composition comprising naphthoylene-benzimidazolium compound as direct dye, preparation and uses OREAL (FR) 2010-11-03 EP claimed
US-20100261726-A1 TREATMENT OF AML DE BONT EVELINE S J M 2010-10-14 US claimed
US-20100130408-A1 USE OF MODIFIED CYCLOSPORINS KOHJIMA MOTOYUKI 2010-05-27 US claimed
EP-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 EP claimed
US-5137888-A Side effect reduction BAZZANO GAIL S (US) 1992-08-11 US claimed
US-5034152-A Liquid crystal 4-alkylbenzenethiols, ferroelectricity CANON KABUSHIKI KAISHA (JP) 1991-07-23 US claimed
US-5011944-A Substituted α-pyrones CIBA-GEIGY CORPORATION (US) 1991-04-30 US claimed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP claimed
EP-0332847-A2 Composition for preventing graying of the hair and restoring grayed hair to its natural color LION CORPORATION (JP) 1989-09-20 EP claimed
WO-1989006234-A1 N,N-SUBSTITUTED AMINES AND USE THEREOF IN HAIR GROWTH PROMOTION BAZZANO GAIL S (US) 1989-07-13 WO claimed
US-4287201-A CONTAINING A 2-(SUBSTITUTED PHENYLIMINO)IMIDAZOLIDINE COMPOUND MERCK & CO., INC. (US) 1981-09-01 US claimed
US-4198205-A SULFONIC ACID-FREE DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US claimed
US-4196284-A FUGNCICDES FMC CORPORATION (US) 1980-04-01 US claimed
US-3962210-A CURING AGENTS, POLYMERIZATION INITIATORS PENNWALT CORPORATION (US) 1976-06-08 US claimed

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-20100130408-A1 USE OF MODIFIED CYCLOSPORINS CHP1, SERPINA6, FKBP2 ALDH1A1 3427/4885CYP3A4 1035/4885SMN1; SMN2 3951/4885
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 ALDH1A1 3213/4885CYP3A4 3394/4885SMN1; SMN2 4309/4885
US-20100261726-A1 TREATMENT OF AML MCL1, TOP2A, TOP2B ALDH1A1 1582/4885CYP3A4 930/4885SMN1; SMN2 2548/4885

“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.