SCHEMBL4820209

SCHEMBL4820209

COc1ccc(-c2ccc(C)[c]c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
ABCB1 P08183 2/20 0.47
BCR P11274 2/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR2 Q92731 1/20 0.41
PTGS2 P35354 2/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 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
SCHEMBL7704868 0.80 GSTP1 (0.49) ABL1ABCB1BCRSMN1; SMN2PTGS2
SCHEMBL5795387 0.79 ACHE (0.36) SMN1; SMN2ACHEKDM4ECYP2D6CYP2C9
SCHEMBL4371389 0.75 ESR2 (0.41) SMN1; SMN2ACHEESR2PTGS2BACE1
SCHEMBL4561266 0.72 ABL1 (0.50) ABL1ABCB1BCRCA12CA1
SCHEMBL7699446 0.72 GSTP1 (0.50) SMN1; SMN2KDM4ECYP1A2CYP2C9ESR2
SCHEMBL12345146 0.71 ACHE (0.54) ABL1ABCB1BCRSMN1; SMN2ACHE
SCHEMBL19357316 0.70 CA12 (0.55) ABL1ABCB1BCRCA12CA1
SCHEMBL697263 0.69 ABL1 (0.57) ABL1ABCB1BCRCA12CA1
SCHEMBL679848 0.69 SMN1; SMN2 (0.55) ABL1ABCB1BCRCA12CA1
SCHEMBL7704625 0.69 ALDH1A1 (0.37) KDM4ECYP1A2CYP2C9CYP2C19ESR2

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
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 ABL1 2013/4885ABCB1 3736/4885BCR 2725/4885

“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.