SCHEMBL23429368

SCHEMBL23429368

CC(C)c1c(O)[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
VDR P11473 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KIF11 P52732 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GPR3 P46089 1/20 0.50
POLB P06746 1/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
AHR P35869 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL30234429 0.79 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3VDR
SCHEMBL10280325 0.79 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3VDR
SCHEMBL21579164 0.78 KDM4E (0.62) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL8997990 0.78 VDR (0.67) CCNB2CDK1CCNB1CCNB3VDR
SCHEMBL7831392 0.77 ALDH1A1 (0.49) ALDH1A1POLBRAB9ALMNAHPGD
Carbazole SCHEMBL29148121 0.76 ALDH1A1 (0.70) ALDH1A1KIF11HSD17B10GPR3IMPDH2
SCHEMBL7377758 0.76 CCNB2 (0.49) CCNB2CDK1CCNB1CCNB3VDR
SCHEMBL12244367 0.74 CCNB2 (0.75) CCNB2CDK1CCNB1CCNB3VDR
SCHEMBL16522854 0.74 KMT2A (0.51) CCNB2CDK1CCNB1CCNB3VDR
SCHEMBL9335819 0.74 MEN1 (0.69) CCNB2CDK1CCNB1CCNB3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2021-06-03 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-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 CCNB2 2930/4885CDK1 905/4885CCNB1 3256/4885

“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.