SCHEMBL519142

SCHEMBL519142

CCCCCC(C)C(O)CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
OPRM1 P35372 1/20 0.44
CYP2D6 P10635 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
CA1 P00915 2/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL7586996 0.98 SPHK1 (0.56) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL12809587 0.98 SPHK1 (0.56) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL29222462 0.98 SPHK1 (0.56) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL12835277 0.98 SPHK1 (0.56) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL8295984 0.98 SPHK1 (0.56) SPHK1OPRM1CYP2D6LMNATP53
SCHEMBL1405275 0.92 SPHK1 (0.43) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL8297786 0.92 SPHK1 (0.43) SPHK1CYP2D6LMNATP53GMNN
Bicarbonate SCHEMBL28579485 0.89 GPR84 (0.53) SPHK1MAPTGPR84CA1FFAR1
SCHEMBL16431130 0.88 SPHK1 (0.47) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL9626184 0.87 SPHK1 (0.60) SPHK1OPRM1CYP2D6LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105338955-B Cosmetic composition comprising a pasty fatty substance and a hydrophobically modified nonionic derivative of cellulose 莱雅公司 2019-09-17 CN claimed
US-20250000088-A1 ANT CONTROL AGENT AND ANT CONTROL METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-01-02 US disclosed
EP-4424164-A1 ANT CONTROL AGENT AND ANT CONTROL METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-09-04 EP disclosed
EP-3558903-B1 PROCESS FOR PHOSPHORYLATING A COMPLEX ALCOHOL AVECHO BIOTECHNOLOGY LTD (AU) 2024-07-03 EP disclosed
CN-118139527-A Ant control agent and ant control method 信越化学工业株式会社 2024-06-04 CN disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
CN-117794918-A Substituted tetrahydrofuran analogues as sodium channel modulators 沃泰克斯药物股份有限公司 2024-03-29 CN disclosed
US-11753435-B2 Process AVECHO BIOTECHNOLOGY LIMITED (AU) 2023-09-12 US disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
US-20230190698-A1 BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES ONO PHARMACEUTICAL CO., LTD. (JP) 2023-06-22 US disclosed
EP-2460801-A1 BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES ONO Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120122964-A1 BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
WO-2004091488-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 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 (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-20230190698-A1 BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES CYP4A11, PDE3A, GUCY1B1 SPHK1 1359/4885OPRM1 1615/4885CYP2D6 401/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B SPHK1 747/4885OPRM1 2338/4885CYP2D6 184/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B SPHK1 732/4885OPRM1 2268/4885CYP2D6 166/4885
US-20120122964-A1 BICYCLIC COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES CYP4A11, PDE3A, GUCY1B1 SPHK1 1359/4885OPRM1 1615/4885CYP2D6 401/4885

“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.