SCHEMBL452179

SCHEMBL452179

C1=Cc2ccccc2CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.38
MAOB P27338 3/20 0.36
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM1A O60341 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MLNR O43193 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
NOS3 P29474 1/20 0.31
BCL2L1 Q07817 1/20 0.30

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
SCHEMBL4132386 0.93 TSHR (0.50) TSHRALDH1A1PARP1MAOBCYP2A6
SCHEMBL4132391 0.93 TSHR (0.50) TSHRALDH1A1PARP1MAOBCYP2A6
SCHEMBL4819140 0.87 TSHR (0.54) TSHRALDH1A1PARP1MAOBCYP2A6
SCHEMBL160705 0.86 PARP1 (0.40) TSHRALDH1A1PARP1MAOBCA1
SCHEMBL29385098 0.86 PARP1 (0.40) TSHRALDH1A1PARP1MAOBCA1
Iodide SCHEMBL28897108 0.84 PARP1 (0.39) TSHRPARP1MAOBCA1CA2
SCHEMBL9420914 0.84 PARP1 (0.39) TSHRPARP1MAOBCA1CA2
Lithium SCHEMBL9420915 0.84 PARP1 (0.39) TSHRPARP1MAOBCA1CA2
SCHEMBL27701784 0.84 PARP1 (0.39) TSHRPARP1MAOBCA1CA2
Water SCHEMBL27782064 0.84 PARP1 (0.39) TSHRPARP1MAOBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP claimed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US claimed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US claimed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US claimed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US claimed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP claimed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US claimed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP claimed
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP claimed
EP-0330026-B1 Piperidinoalkyl derivatives of carboxylic acid amides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-05 EP claimed
EP-3956334-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2025-09-24 EP disclosed
EP-4508029-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2025-02-19 EP disclosed
EP-4508030-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2025-02-19 EP disclosed
EP-4228757-C0 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2024-08-14 EP disclosed
EP-4228757-B1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2024-08-14 EP disclosed
US-4486594-A DIABETIC CATARACTS AND NEUROPATHY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-12-04 US disclosed
US-4467116-A Process for the hydroformylation of olefins SHELL OIL COMPANY (US) 1984-08-21 US disclosed
EP-0091761-A2 Thiazolidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-19 EP disclosed
EP-0054986-A1 A process for the hydroformylation of olefins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-06-30 EP disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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 (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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 TSHR 546/4885ALDH1A1 1768/4885PARP1 1530/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 TSHR 754/4885ALDH1A1 2079/4885PARP1 2064/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 TSHR 754/4885ALDH1A1 2079/4885PARP1 2064/4885
US-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 TSHR 1959/4885ALDH1A1 1321/4885PARP1 1943/4885

“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.