SCHEMBL7123036

SCHEMBL7123036

CCn1cc([C]=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
MAPT P10636 3/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
BRCA1 P38398 1/20 0.47
STAT3 P40763 1/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CYP19A1 P11511 1/20 0.42
TBXAS1 P24557 1/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 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
SCHEMBL7292220 0.82 ALDH1A1 (0.66) MAPTKMT2AMEN1STAT3ALDH1A1
SCHEMBL665932 0.77 MEN1 (0.56) NR4A2MAPTKMT2AMEN1BRCA1
SCHEMBL10654844 0.76 CYP19A1 (0.56) NR4A2MAPTKMT2AMEN1BRCA1
SCHEMBL6210692 0.76 IMPDH2 (0.67) NR4A2MAPTKMT2AMEN1ALDH1A1
SCHEMBL6802017 0.74 ALDH1A1 (0.55) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6800938 0.73 SLC22A12 (0.50) MAPTKMT2AMEN1STAT3ALDH1A1
SCHEMBL10396791 0.73 NR4A2 (0.51) NR4A2MAPTKMT2AMEN1BRCA1
SCHEMBL13806314 0.72 NR4A2 (0.50) NR4A2MAPTKMT2AMEN1BRCA1
SCHEMBL3621031 0.72 NR4A2 (0.50) NR4A2MAPTKMT2AMEN1BRCA1
SCHEMBL3262677 0.72 NR4A2 (0.54) NR4A2MAPTKMT2AMEN1BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656963-B2 Inhibits tumor cell growth THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-02 US disclosed
US-20030087946-A1 Indole-3-carbinol (I3C) derivatives and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-08 US disclosed
US-6369095-B1 ANTITUMOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
WO-2001030344-A1 INDOLE-3-CARBINOL (I3C) DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-05-03 WO disclosed
US-6150395-A CYCLIN DEPENDENT KINASE (CDK) INHIBITORS INHIBIT THE GROWTH OF ESTROGEN-DEPENDENT OR INDEPENDENT BREAST CANCER CELLS AND OTHER TYPES OF CANCER CELLS THAT REVEAL INDUCED CDK6; ANTIESTROGENS; ANTITUMOR AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-11-21 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-20030087946-A1 Indole-3-carbinol (I3C) derivatives and methods CDK6, CDK3, CDKL3 NR4A2 1748/4885MAPT 4188/4885KMT2A 1309/4885

“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.