SCHEMBL2862587

SCHEMBL2862587

[CH2]c1cccc2cccc(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP2A6 P11509 3/20 0.42
▸ CYP1A2 P05177 6/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 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
SCHEMBL29353343 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL588459 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL9171706 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10HPGDCYP3A4
Formaldehyde SCHEMBL28821851 0.79 CYP1A2 (0.52) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL4647758 0.78 CYP1A2 (0.59) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL5255578 0.78 CYP1A2 (0.45) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL5950767 0.76 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10HPGDCYP3A4
Water SCHEMBL27859761 0.76 CYP1A2 (0.48) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL5950773 0.72 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL7823031 0.72 HTR2A (0.40) ALDH1A1TSHRHSD17B10HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 — — EP claimed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 — — US claimed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 — — EP claimed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 — — EP disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 — — US disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 — — EP disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 — — US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 — — US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 — — US disclosed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 — — EP disclosed
EP-2938341-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2015-11-04 — — EP disclosed
US-6034238-A ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENT HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-03-07 — — US disclosed
US-5998447-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT AG (DE) 1999-12-07 — — US disclosed
WO-1999060015-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 — — WO disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 — — EP disclosed
EP-0905139-A2 5 ring heterocyles, process for preparation, use as inhibitors of leukocyte adhesion and pharmaceutical preparations comprising them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 — — EP disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 — — EP disclosed
EP-0842945-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 — — EP disclosed
EP-0842943-A2 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 — — EP disclosed
EP-0842944-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 — — 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 (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-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof GRIN2C, COMT, NLN ALDH1A1 674/4885TSHR 2517/4885HSD17B10 947/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 ALDH1A1 423/4885TSHR 3577/4885HSD17B10 636/4885

“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.

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