SCHEMBL10165804

SCHEMBL10165804

CCc1ccc(-c2ccc(C)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALKBH3 Q96Q83 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
GSK3B P49841 1/20 0.38
THRB P10828 1/20 0.38
FFAR1 O14842 2/20 0.36
PDK1 Q15118 1/20 0.36
MARS1 P56192 1/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL19323001 0.84 HPGD (0.45) CSNK2A1NPC1RAB9ATP53HPGD
SCHEMBL15060592 0.83 AHR (0.52) CSNK2A1MAPK1MARS1
SCHEMBL13906326 0.80 HSD11B1 (0.47) NPC1RAB9ATP53HPGDTSHR
SCHEMBL15060599 0.80 GRM2 (0.50) CSNK2A1L3MBTL1CSNK2A2CSNK2BCSNK2A3
SCHEMBL27744547 0.80 ESR1 (0.56) CSNK2A1
SCHEMBL12603796 0.79 CSNK2A1 (0.49) CSNK2A1NPC1RAB9AMAPK1L3MBTL1
SCHEMBL15357806 0.79 AHR (0.54) CSNK2A1TP53TSHRMAPK1TDP1
SCHEMBL17615936 0.78 RARB (0.41) DGAT1SOAT1BACE1
SCHEMBL11153431 0.77 ALDH1A1 (0.41) NPC1RAB9ATP53HPGDTDP1
SCHEMBL7648209 0.77 ACHE (0.46) CSNK2A1NPC1RAB9ATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 US disclosed
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 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-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 CSNK2A1 1155/4885NPC1 302/4885RAB9A 2811/4885

“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.