SCHEMBL11380880

SCHEMBL11380880

O=C1c2ccccc2OC2C=CC=CC12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
STK17B O94768 1/20 0.38
CYP19A1 P11511 5/20 0.38
MAOB P27338 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
AR P10275 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL30891245 1.00 RET (0.40) RETKDRSTK17BCYP19A1MAOB
SCHEMBL8030421 0.79 ALDH1A1 (0.34) CYP19A1MAOBADORA3ARKDM4E
SCHEMBL8513596 0.77 RET (0.36) RETKDRSTK17BCYP19A1MAOB
SCHEMBL15275913 0.77 S100A4 (0.35) CYP19A1MEN1KMT2A
SCHEMBL22146506 0.76 MAOB (0.38) RETKDRSTK17BCYP19A1MAOB
SCHEMBL24678396 0.75 SETD7 (0.34) KDM4E
SCHEMBL278741 0.74 KMT2A (0.50) KDM4EHSD17B10MEN1POLBKMT2A
SCHEMBL29689764 0.74 KMT2A (0.50) KDM4EHSD17B10MEN1POLBKMT2A
SCHEMBL450880 0.73 CHRM1 (0.38) MAOB
SCHEMBL9949003 0.73 ALDH1A1 (0.46) KDM4EHSD17B10MEN1POLBKMT2A

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
US-20200190070-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-06-18 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-4290954-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS, ANALGESICS, ANTIINFLAMMATORY AGENTS KOWA COMPANY LIMITED (JP) 1981-09-22 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-20200190070-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 RET 2371/4885KDR 2178/4885STK17B 3257/4885

“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.