SCHEMBL9906971

SCHEMBL9906971

CCC(C)c1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
SRD5A2 P31213 1/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 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
SCHEMBL9101659 0.91 ALDH1A1 (0.53) HPGDMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10192291 0.84 ADRB2 (0.52) MAPK1HPGDMEN1KMT2ATSHR
SCHEMBL2632879 0.84 ADRB2 (0.52) MAPK1HPGDMEN1KMT2ATSHR
SCHEMBL14705838 0.84 ADRB2 (0.52) MAPK1HPGDMEN1KMT2ATSHR
SCHEMBL13341904 0.84 ALDH1A1 (0.59) SRD5A2HTTMEN1KMT2ASMN1; SMN2
SCHEMBL4762195 0.84 ALDH1A1 (0.58) MAPK1SRD5A2HPGDHTTSMN1; SMN2
SCHEMBL823013 0.84 HDAC8 (0.56) MAPK1SRD5A2HPGDHTTMEN1
SCHEMBL3151943 0.83 CNR1 (0.60) MAPK1SRD5A2HPGDMEN1KMT2A
SCHEMBL7995537 0.81 SRD5A2 (0.48) MAPK1SRD5A2HPGDHTTMEN1
SCHEMBL9924444 0.79 ALDH1A1 (0.50) HPGDMEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240755-A1 POLYCYCLIC PHOTOINITIATORS IGM GROUP B.V. (NL) 2017-08-24 US disclosed
US-9701762-B2 Hybrid photoinitiators BASF SE (DE) 2017-07-11 US disclosed
US-20160168279-A1 HYBRID PHOTOINITIATORS BASF SE (DE) 2016-06-16 US disclosed
EP-3021395-A1 ELECTROLYTE MEMBRANE, MEMBRANE-ELECTRODE ASSEMBLY, AND SOLID POLYMER FUEL CELL JSR Corporation (JP) 2016-05-18 EP disclosed
US-8637585-B2 Silsesquioxane photoinitiators BASF SE (DE) 2014-01-28 US disclosed
US-8507726-B2 Photoinitiator mixtures BASF SE (DE) 2013-08-13 US disclosed
US-8426484-B2 Liquid photoinitiator blend BASF SE (DE) 2013-04-23 US disclosed
US-20120142793-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2012-06-07 US disclosed
US-20120035292-A1 LIQUID PHOTOINITIATOR BLEND BASF SE (DE) 2012-02-09 US disclosed
US-20110218266-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2011-09-08 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 (2 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-20170240755-A1 POLYCYCLIC PHOTOINITIATORS C1R, C9, C5 MAPK1 3744/4885SRD5A2 2518/4885HPGD 3051/4885
US-20160168279-A1 HYBRID PHOTOINITIATORS CHRM1, CHRM2, CHRM3 MAPK1 1586/4885SRD5A2 3003/4885HPGD 3123/4885

“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.