SCHEMBL3049240

SCHEMBL3049240

CC1(C)C=Cc2cc(I)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CA7 P43166 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HIF1A Q16665 11/20 0.45
EPAS1 Q99814 11/20 0.45
PTGS1 P23219 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
SCHEMBL7738844 0.81 HIF1A (0.58) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL9475843 0.79 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL2012004 0.79 HIF1A (0.46) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL6024450 0.79 HTR2C (0.54) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL8723354 0.79 XDH (0.68) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL482227 0.79 NPSR1 (0.49) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL9219622 0.79 HTR2C (0.54) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL9582367 0.77 HIF1A (0.45) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL9581577 0.77 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL5868243 0.77 HIF1A (0.54) ALDH1A1HPGDKDM4ENPC1CA12

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142493-B1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION CENTRE NAT RECH SCIENT (FR) 2019-03-27 EP disclosed
US-8273768-B2 Iso CA-4 and analogues thereof as potent cytotoxic agents inhibiting tubuline polymerization CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-09-25 US disclosed
US-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2010-05-27 US disclosed
EP-0764162-A1 CYCLOBUT-3-ENE-1,2-DIONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-26 EP disclosed
US-5612323-A ANTIISCHEMIC BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 US disclosed
EP-0401010-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-08-21 EP disclosed
US-5500442-A Cyclobut-3-ene-1,2-dione derivatives as smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-19 US disclosed
WO-1995034556-A1 CYCLOBUT-3-ENE-1,2-DIONE DERIVATIVES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-21 WO disclosed
US-5140031-A Pyranyl cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1992-08-18 US disclosed
EP-0401010-A2 Pyranyl cyanoguanidine derivatives E.R. Squibb & Sons, Inc. (US) 1990-12-05 EP disclosed
WO-1990012011-A1 NOVEL ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-18 WO disclosed
US-4908378-A Benzopyran derivatives and antihypertensive use thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-13 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 (1 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-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION TUBB4A, TUBA4A, TUBB4B ALDH1A1 2264/4885HPGD 3936/4885KDM4E 1268/4885

“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.