SCHEMBL9233296

SCHEMBL9233296

CC(C)=CCCC(C)=CCn1cc(CN2CCN(C)CC2)c2cc(F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 6/20 0.51
▸ HTR6 P50406 12/20 0.47
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ MPO P05164 1/20 0.43
▸ CACNB4 O00305 1/20 0.41
▸ CACNA1A O00555 1/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ CACNG3 O60359 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ CACNB3 P54284 1/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNG7 P62955 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNA1D Q01668 1/20 0.41
▸ CACNB1 Q02641 1/20 0.41
▸ CACNG1 Q06432 1/20 0.41
▸ CACNB2 Q08289 1/20 0.41
▸ CACNA1S Q13698 1/20 0.41

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
SCHEMBL9233286 1.00 ICMT (0.51) ICMTHTR6CYP3A4CYP2D6MPO
SCHEMBL11893734 0.92 ICMT (0.56) ICMTHTR6CYP3A4CYP2D6MPO
SCHEMBL11893733 0.92 ICMT (0.56) ICMTHTR6CYP3A4CYP2D6MPO
SCHEMBL11893631 0.92 ICMT (0.55) ICMTHTR6CACNB4CACNA1ACACNA1G
SCHEMBL11893630 0.92 ICMT (0.55) ICMTHTR6CACNB4CACNA1ACACNA1G
SCHEMBL11893559 0.91 ICMT (0.56) ICMTHTR6CACNB4CACNA1ACACNA1G
SCHEMBL11893560 0.91 ICMT (0.56) ICMTHTR6CACNB4CACNA1ACACNA1G
SCHEMBL9232076 0.90 ICMT (0.57) ICMTHTR6CACNB4CACNA1ACACNA1G
SCHEMBL9232070 0.90 ICMT (0.57) ICMTHTR6CACNB4CACNA1ACACNA1G
SCHEMBL9238767 0.89 ICMT (0.50) ICMTHTR6CYP3A4CYP2D6CACNB4

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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 — — US claimed
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
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 — — EP 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 ICMT 1/4885HTR6 4200/4885CYP3A4 2511/4885

“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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