SCHEMBL176974

SCHEMBL176974

CC(O)C1=CCC2CC1C2(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX12 P18054 2/20 0.42
CXCR3 P49682 10/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL11063361 0.77 MAPK1 (0.49) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL23294884 0.76 MAPK1 (0.44) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL30832576 0.74 MAPK1 (0.41) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL30832579 0.74 MAPK1 (0.41) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL30832575 0.74 MAPK1 (0.41) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL210247 0.72 MAPK1 (0.61) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL4570717 0.72 MAPK1 (0.61) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL9010746 0.72 MAPK1 (0.61) MAPK1TSHRKDM4EHTTTDP1
SCHEMBL823093 0.72 ALOX12 (0.43) MAPK1TSHRKDM4EHTTTDP1
Alpha-Pinene SCHEMBL338721 0.71 MAPK1 (0.92) MAPK1TSHRKDM4EHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302266-B Traction fluid 路博润公司 2023-02-24 CN 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-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
US-20100273683-A1 Compositions having hase rheology modifiers SPECIALTY OPERATIONS FRANCE (FR) 2010-10-28 US disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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 (4 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 MAPK1 2166/4885TSHR 354/4885KDM4E 1508/4885
US-20100273683-A1 Compositions having hase rheology modifiers WEE2, CCNE2, HPSE MAPK1 2981/4885TSHR 4655/4885KDM4E 1293/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 MAPK1 2166/4885TSHR 354/4885KDM4E 1508/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 MAPK1 2408/4885TSHR 262/4885KDM4E 2503/4885

“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.