SCHEMBL1611049

SCHEMBL1611049

[CH2]CCCCCCC1CC1CCCCCC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GBA1 P04062 3/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
CYP1A2 P05177 2/20 0.32
NOS3 P29474 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
SPHK1 Q9NYA1 3/20 0.32
SPHK2 Q9NRA0 2/20 0.32

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
SCHEMBL19691908 1.00 ALOX5 (0.55) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL19692314 1.00 ALOX5 (0.55) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL1476715 1.00 ALOX5 (0.55) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL1476747 1.00 ALOX5 (0.55) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL2961154 0.94 ALOX5 (0.50) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL2966938 0.94 ALOX5 (0.50) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL18657390 0.88 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL29971764 0.88 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL18685663 0.88 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL9376923 0.87 ALOX5 (0.43) ALOX5ALDH1A1EPHX1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024117128-A1 INTRAOCULAR PRESSURE LOWERING AGENT, AND AGENT FOR TREATING OR PREVENTING GLAUCOMA OR OCULAR HYPERTENSION SANSHO株式会社 2024-06-06 WO disclosed
US-20240115586-A1 THERAPEUTIC AGENT FOR PULMONARY FIBROSIS SANSHO CO. LTD. (JP) 2024-04-11 US disclosed
EP-4252756-A1 THERAPEUTIC AGENT FOR PULMONARY FIBROSIS Sansho Co., Ltd. (JP) 2023-10-04 EP disclosed
CN-116710105-A Therapeutic agent for pulmonary fibrosis 山椒株式会社 2023-09-05 CN disclosed
US-20230108750-A1 CARBALYSOPHOSPHATIDIC ACID OCHANOMIZU UNIVERSITY (JP) 2023-04-06 US disclosed
US-10413559-B2 Method for treating demyelinating disease OCHANOMIZU UNIVERSITY (JP) 2019-09-17 US disclosed
EP-2949329-B1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE UNIV OCHANOMIZU (JP) 2019-05-01 EP disclosed
EP-2803359-B1 THERAPEUTIC AGENT FOR JOINT DISEASES SANSHO CO (JP) 2017-04-19 EP disclosed
US-20150352132-A1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE OCHANOMIZU UNIVERSITY (JP) 2015-12-10 US disclosed
EP-2949329-A1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE Ochanomizu University (JP) 2015-12-02 EP disclosed
EP-1402894-B1 CANCEROUS METASTASIS INHIBITORS CONTAINING CARBACYCLIC PHOSPHATIDIC ACID DERIVATIVES MUROFUSHI KIMIKO (JP) 2007-12-26 EP disclosed
US-20070161604-A1 Highly active lysophosphatidic acid and method of screening therewith ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-12 US disclosed
US-20060122155-A1 Carbacyclic phosphatidic acid derivative SANSHO CO., LTD. (JP) 2006-06-08 US disclosed
EP-1535926-A1 CARBACYCLIC PHOSPHATIDIC ACID DERIVATIVE Murofushi, Kimiko (JP) 2005-06-01 EP disclosed
US-20040220149-A1 Nerve cell survival promoters containing cyclic phosphatidic acid derivative GENCOM CORPORATION (JP) 2004-11-04 US disclosed
US-20040214799-A1 Cancerous metastasis inhibitors containing carbacyclic phosphatidic acid derivatives MUROFUSHI, KIMIKO (JP) 2004-10-28 US disclosed
US-20040176329-A1 Drugs for promoting the proliferation, differentiation and/or survival of glial cells containing cyclic phosphatidic acid KIMIKO MUROFUSHI (JP) 2004-09-09 US disclosed
EP-1402894-A1 CANCEROUS METASTASIS INHIBITORS CONTAINING CARBACYCLIC PHOSPHATIDIC ACID DERIVATIVES Gencom Corporation (JP) 2004-03-31 EP disclosed
EP-1391204-A1 NERVE CELL SURVIVAL PROMOTERS CONTAINING CYCLIC PHOSPHATIDIC ACID DERIVATIVE Gencom Corporation (JP) 2004-02-25 EP disclosed
EP-1386612-A1 DRUGS FO RPROMOTING THE PROLIFERATION, DIFFERENTIATION AND/OR SURVIVAL OF GLIAL CELLS CONTAINING CYCLIC PHOSPHATIDIC ACID Gencom Corporation (JP) 2004-02-04 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 (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-20230108750-A1 CARBALYSOPHOSPHATIDIC ACID PHOSPHO1, SGMS1, PLD1 ALOX5 408/4885ALDH1A1 3690/4885EPHX1 756/4885
US-20040214799-A1 Cancerous metastasis inhibitors containing carbacyclic phosphatidic acid derivatives PTEN, PLCB1, PLCG2 ALOX5 387/4885ALDH1A1 2283/4885EPHX1 783/4885
US-20040176329-A1 Drugs for promoting the proliferation, differentiation and/or survival of glial cells containing cyclic phosphatidic acid GAP43, SMPD2, SMPD3 ALOX5 596/4885ALDH1A1 3248/4885EPHX1 488/4885
US-20150352132-A1 THERAPEUTIC AGENT FOR DEMYELINATING DISEASE PMP22, MAG, SGMS1 ALOX5 399/4885ALDH1A1 3983/4885EPHX1 1090/4885
US-20060122155-A1 Carbacyclic phosphatidic acid derivative SGMS1, SGMS2, LPAR2 ALOX5 336/4885ALDH1A1 3742/4885EPHX1 1948/4885
US-10413559-B2 Method for treating demyelinating disease PMP22, MAG, SGMS1 ALOX5 210/4885ALDH1A1 3689/4885EPHX1 797/4885
US-20070161604-A1 Highly active lysophosphatidic acid and method of screening therewith LPAR2, LPAR1, LPAR6 ALOX5 71/4885ALDH1A1 1041/4885EPHX1 226/4885
US-20240115586-A1 THERAPEUTIC AGENT FOR PULMONARY FIBROSIS CCL11, ELANE, MMP1 ALOX5 384/4885ALDH1A1 626/4885EPHX1 1567/4885
US-20040220149-A1 Nerve cell survival promoters containing cyclic phosphatidic acid derivative NGF, GAP43, PLA2G4A ALOX5 842/4885ALDH1A1 3386/4885EPHX1 1578/4885

“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.