SCHEMBL482227

SCHEMBL482227

CC1(C)C=Cc2cc(Br)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
CA1 P00915 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CA7 P43166 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 10/20 0.44
EPAS1 Q99814 10/20 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
SCHEMBL16695056 0.85 HIF1A (0.40) NPSR1ALDH1A1HPGDCA12CA9
SCHEMBL20718982 0.85 HTR2C (0.54) NPSR1ALDH1A1HPGDCA12CA9
SCHEMBL7738844 0.79 HIF1A (0.58) ALDH1A1HPGDCA12CA9KDM4E
SCHEMBL3049240 0.79 ALDH1A1 (0.46) ALDH1A1HPGDCA12CA9KDM4E
SCHEMBL9219622 0.78 HTR2C (0.54) ALDH1A1HPGDCA12CA9KDM4E
SCHEMBL6024450 0.78 HTR2C (0.54) ALDH1A1HPGDCA12CA9KDM4E
SCHEMBL9475843 0.78 ALDH1A1 (0.45) ALDH1A1HPGDCA12CA9KDM4E
SCHEMBL8723354 0.78 XDH (0.68) NPSR1ALDH1A1HPGDCA12CA9
SCHEMBL2012004 0.78 HIF1A (0.46) ALDH1A1HPGDCA12CA9KDM4E
SCHEMBL6981088 0.76 NPSR1 (0.43) NPSR1CA12CA9HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 US disclosed
EP-0633256-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1995-01-11 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed
EP-0409949-B1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS ICI PLC (GB) 1994-05-18 EP disclosed
US-5284838-A Hypotensive agents ELF SANOFI (FR) 1994-02-08 US disclosed
US-5185452-A Antidiabetic agents; aldose reductase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0409949-A1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS. ICI PLC (GB) 1991-01-30 EP disclosed
WO-1990008763-A1 ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-09 WO disclosed
EP-0376524-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1990-07-04 EP disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 EP 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 (2 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN NPSR1 4004/4885ALDH1A1 355/4885HPGD 905/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P NPSR1 4379/4885ALDH1A1 963/4885HPGD 1314/4885

“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.