SCHEMBL10171847

SCHEMBL10171847

COc1ccc2c(C)coc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL31299896 1.00 PIN1 (0.58) PIN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL719569 0.85 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL23188124 0.79 PIN1 (0.57) PIN1KDM4EALDH1A1HPGDRAB9A
SCHEMBL23287848 0.79 PIN1 (0.57) PIN1KDM4EALDH1A1HPGDRAB9A
SCHEMBL30983332 0.79 PPARD (0.40) PIN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14044659 0.78 PPARD (0.53) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL23135513 0.77 PIN1 (0.54) PIN1KDM4EALDH1A1HPGDRAB9A
SCHEMBL23188008 0.77 CYP11B1 (0.57) PIN1KDM4EALDH1A1HPGDRAB9A
SCHEMBL22302831 0.77 HPGD (0.63) PIN1KDM4EALDH1A1HPGDRAB9A
SCHEMBL5986723 0.75 MAPT (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1988143-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, WHITE LIGHT EMITTING ELEMENT, DISPLAY DEVICE AND ILLUMINATING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2008-11-05 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 (5 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 PIN1 3063/4885KDM4E 1508/4885ALDH1A1 3172/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 PIN1 2680/4885KDM4E 1701/4885ALDH1A1 3045/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R PIN1 3681/4885KDM4E 728/4885ALDH1A1 2275/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 PIN1 3063/4885KDM4E 1508/4885ALDH1A1 3172/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 PIN1 4311/4885KDM4E 2503/4885ALDH1A1 3392/4885

“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.