SCHEMBL762014

SCHEMBL762014

CN1CCCc2ccc(C(C)(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NLRP3 Q96P20 1/20 0.42
RORC P51449 1/20 0.40
TP53 P04637 1/20 0.39
ACHE P22303 2/20 0.39
KDM4E B2RXH2 4/20 0.37
TRPV1 Q8NER1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
ALOX15 P16050 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL15591986 0.89 NOTUM (0.41) ALDH1A1HPGDNLRP3RORCTP53
SCHEMBL23600970 0.87 NLRP3 (0.42) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL762346 0.86 ALDH1A1 (0.55) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL13151196 0.83 NLRP3 (0.42) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL14349182 0.79 HRH3 (0.49) ALDH1A1MEN1KMT2AMAPTNLRP3
SCHEMBL10224211 0.77 RORC (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL13763275 0.77 LMNA (0.56) ALDH1A1MAPTRORCTP53TRPV1
SCHEMBL2616323 0.77 ALDH1A1 (0.60) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL23510578 0.76 NR1H3 (0.39) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL12017188 0.75 NOTUM (0.43) ALDH1A1MEN1HPGDKMT2AGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2014-01-30 US disclosed
US-8501944-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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 (9 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 ALDH1A1 4344/4885MEN1 2865/4885HPGD 3129/4885
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885MEN1 3829/4885HPGD 3007/4885
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885MEN1 2865/4885HPGD 3129/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885MEN1 3829/4885HPGD 3007/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885MEN1 3829/4885HPGD 3007/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885MEN1 2865/4885HPGD 3129/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 ALDH1A1 3700/4885MEN1 3829/4885HPGD 3007/4885
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885MEN1 2865/4885HPGD 3129/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885MEN1 2865/4885HPGD 3129/4885

“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.