SCHEMBL9749565

SCHEMBL9749565

CC1Cc2ccc(O)cc2OC1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
TTR P02766 1/20 0.45
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
CHRNA7 P36544 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 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
SCHEMBL5547664 0.81 BRD4 (0.55) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2183040 0.80 ESR2 (0.51) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL13475983 0.80 ACHE (0.40) ALDH1A1BRD4CREBBP
SCHEMBL14449384 0.80 ACHE (0.40) ALDH1A1BRD4CREBBP
SCHEMBL2182284 0.78 KDM4E (0.47) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL7840132 0.74 ESR1 (0.42) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL5548009 0.74 MEN1 (0.46) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL3796779 0.74 CHRNB4 (0.50) CYP3A4ESR1ESR2TTR
SCHEMBL8504530 0.73 CHRM2 (0.41) BRD4CREBBPGABRA1GABRB2
SCHEMBL18350079 0.72 DRD2 (0.50) KDM4EALDH1A1CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127399-A1 BIOSOURCED COMPOUND HAVING EPOXIDE FUNCTIONS, METHOD FOR THE SYNTHESIS OF SUCH A COMPOUND, AND USE THEREOF FOR PRODUCING EPOXY RESIN AGRONOMIQUE INST NAT RECH (FR) 2018-05-10 US disclosed
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 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-20180127399-A1 BIOSOURCED COMPOUND HAVING EPOXIDE FUNCTIONS, METHOD FOR THE SYNTHESIS OF SUCH A COMPOUND, AND USE THEREOF FOR PRODUCING EPOXY RESIN SRM, ODC1, PCNA KDM4E 1364/4885ALDH1A1 816/4885CYP3A4 2189/4885

“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.