SCHEMBL9231963

SCHEMBL9231963

Cc1cccc(-c2ccc3[nH]cc(C=O)c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.55
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP2A6 P11509 3/20 0.50
IMPDH2 P12268 1/20 0.50
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
PIM3 Q86V86 1/20 0.45
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NR4A2 P43354 1/20 0.41
MAP4K4 O95819 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
SCHEMBL15330072 0.86 ALDH1A1 (0.56) ICMTALDH1A1CYP1A2CYP2C19CYP2A6
SCHEMBL2531595 0.84 CYP2A6 (0.61) ICMTALDH1A1CYP1A2CYP2C19CYP2A6
SCHEMBL1094048 0.82 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL15330818 0.82 ICMT (0.55) ICMTALDH1A1CYP1A2CYP2C19CYP2A6
SCHEMBL15330606 0.82 CYP2A6 (0.50) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL15332418 0.82 ALDH1A1 (0.72) ICMTALDH1A1CYP1A2CYP2C19CYP2A6
SCHEMBL2557250 0.80 ERN1 (0.59) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL2555098 0.79 GABRP (0.50) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL29953288 0.79 PIM1 (0.47) ICMTALDH1A1CYP1A2CYP2C19CYP2A6
SCHEMBL15330462 0.79 ERN1 (0.63) ALDH1A1CYP1A2CYP2C19NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
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-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 US disclosed
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-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 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
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 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 1/4885ALDH1A1 502/4885CYP1A2 2576/4885

“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.