SCHEMBL197291

SCHEMBL197291

O=C(O)COc1cc[c]cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.65
ALDH1A1 P00352 3/20 0.55
FFAR1 O14842 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN7 P35236 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTPN12 Q05209 1/20 0.52
TSHR P16473 2/20 0.49
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL339492 0.84 ALOX15 (0.81) ALOX15ALDH1A1FFAR1SMN1; SMN2PTPN7
Water SCHEMBL28773724 0.82 ALOX15 (0.95) ALOX15ALDH1A1FFAR1SMN1; SMN2PTPN7
SCHEMBL3805601 0.81 ALOX15 (0.44) ALOX15ALDH1A1FFAR1SMN1; SMN2KMT2A
SCHEMBL196312 0.81 MEN1 (0.46) ALOX15ALDH1A1MAPTMEN1KMT2A
SCHEMBL3169853 0.81 ALOX15 (0.42) ALOX15ALDH1A1SMN1; SMN2MAPT
SCHEMBL10778419 0.81 ALOX15 (0.42) ALOX15ALDH1A1FFAR1SMN1; SMN2PTPN7
SCHEMBL8127 0.79 ALOX15 (1.00) ALOX15ALDH1A1FFAR1SMN1; SMN2PTPN7
SCHEMBL1318870 0.79 ALOX15 (1.00) ALOX15ALDH1A1FFAR1SMN1; SMN2PTPN7
SCHEMBL826073 0.79 L3MBTL1 (0.61) FFAR1TSHRLMNAMCL1
SCHEMBL7248108 0.79 MAPT (0.59) ALOX15ALDH1A1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
US-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
WO-2017034872-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO claimed
EP-0654995-B1 4-OXA-1-AZABICYCLO (3,2,0) HEPTAN-7-ONE DERIVATIVES AS ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO LTD (JP) 1996-10-23 EP claimed
US-5561126-A OXAPENAMS HAVING CHEMICAL STABILITY; ANTICARCINOGENIC AGENTS; LEUKEMIA TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-10-01 US claimed
US-5534395-A Method of processing silver halide color photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1996-07-09 US claimed
EP-0654995-A1 4-OXA-1-AZABICYCLO (3,2,0) HEPTAN-7-ONE DERIVATIVES AS ANTITUMOR AGENTS. TAIHO PHARMACEUTICAL CO LTD (JP) 1995-05-31 EP claimed
CN-1082548-A Antineoplastic agent 4-oxa--1-azabicyclo [3,2, O] heptane-7-ketone derivatives MEDICINE BIOLOG TECH I CHINA M (CN) 1994-02-23 CN claimed
WO-1994001109-A1 4-OXA-1-AZABICYCLO [3,2,0] HEPTAN-7-ONE DERIVATIVES AS ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO. LTD. (JP) 1994-01-20 WO claimed
EP-0320776-B1 COLOR PHOTOGRAPHIC SILVER HALIDE MATERIAL Agfa-Gevaert AG (DE) 1993-03-31 EP claimed
US-4898811-A STABILITY AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1990-02-06 US claimed
US-4091213-A 7-Cyclizedamino-3-heterothiomethyl cephalosporin derivatives BRISTOL-MYERS COMPANY (US) 1978-05-23 US claimed
US-4026888-A ANTIBIOTICS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-05-31 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 (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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALOX15 2068/4885ALDH1A1 528/4885FFAR1 15/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALOX15 2088/4885ALDH1A1 517/4885FFAR1 16/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 ALOX15 2088/4885ALDH1A1 517/4885FFAR1 16/4885
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALOX15 1393/4885ALDH1A1 689/4885FFAR1 26/4885

“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.