SCHEMBL506743

SCHEMBL506743

CC1(C)C=Cc2cc(C#N)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CA1 P00915 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CA7 P43166 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 7/20 0.41
EPAS1 Q99814 7/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCB1 P08183 6/20 0.40

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
SCHEMBL30523681 1.00 CA12 (0.46) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30065854 0.87 ODC1 (0.44) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL20766474 0.87 ODC1 (0.44) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL8129452 0.85 HIF1A (0.38) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL9293857 0.82 HIF1A (0.43) HIF1AEPAS1
SCHEMBL9765461 0.80 CA12 (0.43) CA12CA9CYP3A4ABCB1PTGS1
SCHEMBL9042019 0.80 HIF1A (0.44) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL9206139 0.78 CA12 (0.40) CA12CA9KDM4EABCB1PTGS1
SCHEMBL6980284 0.78 CA12 (0.40) CA12CA9KDM4EABCB1PTGS1
SCHEMBL9736524 0.78 PTGS1 (0.46) CA12CA9KDM4ECYP3A4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643626-B1 METHOD OF PRODUCING EPOXYCHROMANS WITH A CHIRAL CATALYST RES CORP TECHNOLOGIES INC (US) 2002-02-27 EP claimed
US-5663393-A CYCLIZATION; DECYCLIZATION; HYDROLYSIS; HYDROGENATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-09-02 US claimed
US-5637739-A ORGANOMETALLIC CATALYSTS FOR ENANTIOSELECTIVELY EPOXIDIZING PROCHIRAL OLEFINS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US claimed
EP-0643626-A4 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL. RES CORP TECHNOLOGIES INC (US) 1995-12-06 EP claimed
EP-0409651-B1 New Process for the preparation of anti-hypertensive benzopyran derivative ALKALOIDA VEGYESZETI GYAR (HU) 1995-05-03 EP claimed
EP-0643626-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-22 EP claimed
WO-1993003838-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-03-04 WO claimed
US-12454539-B2 Controlled-delivery cromakalim prodrugs QLARIS BIO, INC. (US) 2025-10-28 US disclosed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
EP-0409651-A1 New Process for the preparation of anti-hypertensive benzopyran derivative ALKALOIDA VEGYESZETI GYAR (HU) 1991-01-23 EP disclosed
EP-0389861-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 EP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed
EP-0344747-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-06 EP disclosed
US-4758677-A Cyanobenzano [b] pyrans BEECHAM GROUP P.L.C (GB) 1988-07-19 US disclosed
US-4391815-A VASODILATION, HYPOTENSIVE BEECHAM GROUP LIMITED (GB) 1983-07-05 US disclosed
US-4251537-A Hypotensive 3,4-dihydro-2,2-dimethyl-4-amino-2H-benzo[b]pyran-3-ols BEECHAM GROUP LIMITED (GB) 1981-02-17 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 (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-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 CA12 604/4885CA9 512/4885ALDH1A1 240/4885
US-12454539-B2 Controlled-delivery cromakalim prodrugs KCNJ1, KCNJ8, KCNJ11 CA12 1104/4885CA9 654/4885ALDH1A1 2491/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 CA12 604/4885CA9 512/4885ALDH1A1 240/4885

“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.