SCHEMBL11896273

SCHEMBL11896273

C=CCn1ccc2cc(-c3cccc(C)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.45
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ ICMT O60725 9/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL9235686 0.84 ICMT (0.57) ERBB2HTR2AHTR2CNTSR1ICMT
SCHEMBL25010274 0.84 HTR2A (0.55) HTR2AHTR2CKDM4EMAPTEGFR
Methylamine SCHEMBL27990030 0.82 ICMT (0.56) ERBB2HTR2AHTR2CNTSR1ICMT
SCHEMBL9234984 0.78 ICMT (0.59) ICMT
SCHEMBL12879254 0.74 HTR2C (0.55) HTR2AHTR2CKDM4EMAPTNPSR1
SCHEMBL11961043 0.74 HSD11B1 (0.63) NR3C1HSD11B1
SCHEMBL4022763 0.73 SERPINE1 (0.57) ERBB2ICMTHDAC8HDAC6
SCHEMBL6100410 0.72 HTR2C (0.57) HTR2AHTR2CKDM4EMAPTHDAC8
SCHEMBL9092842 0.71 HTR2A (0.54) HTR2AHTR2CNTSR1EGFR
SCHEMBL30267597 0.71 HTR2C (0.54) HTR2AHTR2CEGFR

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-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 — — US disclosed
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 — — 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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY ICMT, BHMT, SHMT1 ERBB2 3560/4885HTR2A 4607/4885HTR2C 4520/4885

“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.

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