SCHEMBL9797399

SCHEMBL9797399

CCC(C)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
HSD17B10 Q99714 5/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 3/20 0.48
RECQL P46063 2/20 0.48
RORC P51449 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC22A2 O15244 1/20 0.39

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
SCHEMBL3400325 0.90 GABRA1 (0.61) GABRA1GABRB1HSD17B10TSHRALDH1A1
SCHEMBL11682443 0.85 GABRA1 (0.55) GABRA1GABRB1HSD17B10TSHRALDH1A1
SCHEMBL11679871 0.81 GABRA1 (0.47) GABRA1GABRB1HSD17B10TSHRALDH1A1
SCHEMBL12767956 0.79 GABRA1 (0.78) GABRA1GABRB1HSD17B10TSHRALDH1A1
SCHEMBL2168125 0.79 RORC (0.46) GABRA1GABRB1HSD17B10TSHRALDH1A1
SCHEMBL2974180 0.78 GABRA1 (0.56) GABRA1GABRB1HSD17B10TSHRALDH1A1
SCHEMBL23159332 0.77 GABRA1 (0.36) GABRA1GABRB1TSHRALDH1A1RORC
SCHEMBL17069214 0.77 GABRA1 (0.36) GABRA1GABRB1TSHRALDH1A1RORC
SCHEMBL9797748 0.77 GABRA1 (0.36) GABRA1GABRB1TSHRALDH1A1RORC
SCHEMBL9811656 0.75 TDP1 (0.38) GABRA1GABRB1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-5064861-A ACYLATED AMINE COMPOUNDS WHICH ARE USEFUL FUNGICIGAL AGENTS ROUSSEL UCLAF (FR) 1991-11-12 US disclosed
EP-0413807-A1 ACYLATED POLYAMINES AND APPLICATIONS THEREOF AS VEGETABLE GROWTH REGULATORS ROUSSEL-UCLAF (FR) 1991-02-27 EP disclosed
WO-1990010386-A1 ACYLATED POLYAMINES AND APPLICATIONS THEREOF AS VEGETABLE GROWTH REGULATORS ROUSSEL-UCLAF (FR) 1990-09-20 WO disclosed
EP-0376819-A1 Acrylated polyamines, process for their preparation and their use as fungicides ROUSSEL-UCLAF (FR) 1990-07-04 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 (3 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG GABRA1 2555/4885GABRB1 1643/4885HSD17B10 392/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 GABRA1 1251/4885GABRB1 1430/4885HSD17B10 4028/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 GABRA1 3067/4885GABRB1 2489/4885HSD17B10 1441/4885

“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.