SCHEMBL9950301

SCHEMBL9950301

CCn1cc(O)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
CREBBP Q92793 1/20 0.39
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
NR4A2 P43354 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL19405809 0.83 TYR (0.44) KDM4EALDH1A1POLBMAPTESR1
SCHEMBL19405788 0.80 TYR (0.47) KDM4EALDH1A1ESR1MEN1KMT2A
SCHEMBL4250333 0.76 BRD4 (0.45) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL11983452 0.76 ALDH1A1 (0.60) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL16190092 0.74 NPY5R (0.39) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL252411 0.74 KMT2A (0.41) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL15393378 0.74 CREBBP (0.39) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL12575366 0.74 MAPT (0.43) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL12217560 0.74 CREBBP (0.42) KDM4EALDH1A1POLBMAPTCREBBP
SCHEMBL15360158 0.74 MAPT (0.50) KDM4EALDH1A1POLBMAPTCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3061752-B1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS XCOVERY HOLDING CO LLC (US) 2018-02-21 EP disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 KDM4E 3528/4885ALDH1A1 2050/4885POLB 4613/4885

“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.