SCHEMBL21664640

SCHEMBL21664640

CCCCOCCOCCOCC(O)NC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
USP2 O75604 2/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LPAR5 Q9H1C0 4/20 0.38
PLA2G2C Q5R387 2/20 0.37
CASR P41180 1/20 0.35
LPAR6 P43657 3/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR4 Q99677 3/20 0.34
LPAR2 Q9HBW0 3/20 0.34
LPAR3 Q9UBY5 3/20 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
SCHEMBL20234275 1.00 TSHR (0.45) TSHRUSP2HTTMEN1THRB
SCHEMBL22006695 0.88 USP2 (0.58) USP2HTTMEN1THRBKMT2A
SCHEMBL22224041 0.88 USP2 (0.58) USP2HTTMEN1THRBKMT2A
SCHEMBL22006030 0.82 USP2 (0.32) USP2HTTLPAR5
SCHEMBL22266384 0.82 USP2 (0.35) USP2HTTMEN1THRBKMT2A
SCHEMBL21472809 0.82 USP2 (0.35) USP2HTTMEN1THRBKMT2A
SCHEMBL20231688 0.81 USP2 (0.38) USP2HTTMEN1THRBKMT2A
SCHEMBL22296974 0.79 HSD17B10 (0.32) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL3227281 0.79 MEN1 (0.48) TSHRUSP2HTTMEN1THRB
SCHEMBL20323857 0.79 HSD17B10 (0.32) MEN1KMT2AHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN TSHR 4299/4885USP2 32/4885HTT 628/4885

“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.