SCHEMBL79176

SCHEMBL79176

CC(C)Sc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
P4HB P07237 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CA2 P00918 5/20 0.41
ALOX15 P16050 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
CA5A P35218 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL9198990 0.86 GABRA1 (0.44) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL9198984 0.82 GABRA1 (0.41) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL19145105 0.82 HPGD (0.46) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL30548758 0.82 MAP2K7 (0.41) ALDH1A1ALOX15TDP1POLBKDM4E
SCHEMBL200412 0.78 GABRA1 (0.43) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL24443105 0.77 P4HB (0.41) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL11289083 0.77 GABRA1 (0.38) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL6932141 0.76 TRPA1 (0.41) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL24743672 0.74 P4HB (0.39) GABRA1GABRB2P4HBALDH1A1CA2
SCHEMBL11855485 0.74 P4HB (0.39) GABRA1GABRB2P4HBALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112083100-A Method for simultaneously detecting multiple volatile components in pepper or pepper product 成都市食品药品检验研究院 2020-12-15 CN claimed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF OXFORD FINANCE LLC 2023-05-04 US disclosed
WO-2021178857-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF JANPIX, LTD. (US) 2021-09-10 WO disclosed
CN-112083100-A Method for simultaneously detecting multiple volatile components in pepper or pepper product 成都市食品药品检验研究院 2020-12-15 CN disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
CN-1761646-A Cannabinoid receptor ligands SCHERING CORP (US) 2006-04-19 CN disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
US-20050014746-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-supressive agents ICOS CORPORATION 2005-01-20 US disclosed
US-6787542-B2 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents ICOS CORPORATION 2004-09-07 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
EP-1294704-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2003-03-26 EP disclosed
US-20020132807-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents ICOS CORPORATION 2002-09-19 US disclosed
WO-2002002539-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO disclosed
EP-0314042-A2 Novel copolymers and superoxide dismutase modified with said copolymers KURARAY CO., LTD. (JP) 1989-05-03 EP disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 US 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 (8 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-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS STAT5A, STAT5B, STAT3 GABRA1 3590/4885GABRB2 3049/4885P4HB 2067/4885
US-20020132807-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents VCAM1, ICAM1, CD47 GABRA1 554/4885GABRB2 542/4885P4HB 805/4885
US-20050014746-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-supressive agents ICAM1, VCAM1, CD47 GABRA1 1525/4885GABRB2 1171/4885P4HB 1170/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 GABRA1 3193/4885GABRB2 2318/4885P4HB 3649/4885
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF STAT5A, STAT5B, STAT3 GABRA1 3006/4885GABRB2 2536/4885P4HB 2923/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 GABRA1 731/4885GABRB2 480/4885P4HB 2241/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 GABRA1 2605/4885GABRB2 1825/4885P4HB 2796/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 GABRA1 2555/4885GABRB2 2291/4885P4HB 467/4885

“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.