SCHEMBL44896

SCHEMBL44896

CCCCCCC(C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
SMPD1 P17405 3/20 0.41
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
FDPS P14324 2/20 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
SCHEMBL14911157 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL9181091 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL38656174 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL31207037 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL402299 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL23945469 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL9207279 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL18169171 1.00 OPRM1 (0.50) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL130471 0.97 OPRM1 (0.52) OPRM1TSHRTHRBSPHK1LMNA
SCHEMBL671923 0.89 OPRM1 (0.46) OPRM1TSHRTHRBSPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US claimed
CN-108034512-A A kind of Multi-function dry washing material and preparation method thereof 东莞智高化学科技有限公司 2018-05-15 CN claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 WO claimed
US-20130232852-A1 METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN THESIS CHEMISTRY, LLC (US) 2013-09-12 US claimed
WO-2013134756-A1 A METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN Vertichem Corporation (CA) 2013-09-12 WO claimed
US-20250197341-A1 METHOD FOR INHIBITING CRYSTALLISATION BIOSYNTHIS (FR) 2025-06-19 US disclosed
WO-2024141382-A1 METHOD FOR PRODUCING ISOXAZOLINECARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-04 WO disclosed
EP-3668845-B1 HERBICIDALLY ACTIVE 3-PHENYL-5-TRIFLUORMETHYLISOXAZOLIN-5-CARBOXAMIDES OF CYCLOPENTYL CARBOXYLIC ACIDS AND ESTERS BAYER AG (DE) 2024-06-26 EP disclosed
EP-4378314-A2 HERBICIDAL COMPOSITIONS Bayer AG (DE) 2024-06-05 EP disclosed
EP-4373277-A1 METHOD FOR SPOT-TREATMENT APPLICATION AGAINST WEEDS Bayer Aktiengesellschaft (DE) 2024-05-29 EP disclosed
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US disclosed
EP-4358718-A1 (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXY ALKYL ACIDS AND THEIR DERIVATIVES, THEIR SALTS AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2024-05-01 EP disclosed
US-5356907-A 1-cycloalkylpyridones as analgesics ROUSSEL UCLAF (FR) 1994-10-18 US disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
US-4524230-A Preparation of alkylaromatic compounds UOP INC. (US) 1985-06-18 US disclosed
US-4524024-A INCLUDING A HYDROLYSIS OF ESTERS TO INCREASE YIELD; DISTILLATION THE BADGER COMPANY, INC. (US) 1985-06-18 US disclosed
US-3992451-A IN THE PRESENCE OF FREE RADICAL CATALYSTS, HYDROGEN CHLORIDE, AND CARBON MONOXIDE UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-11-16 US disclosed
US-3962448-A CNS DEPRESSANTS, VETERINARY SMITHKLINE CORPORATION (US) 1976-06-08 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-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER ALKBH2, ABHD12, FAAH2 OPRM1 855/4885TSHR 3034/4885THRB 3627/4885
US-20130232852-A1 METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN DCXR, AGL, GLO1 OPRM1 4092/4885TSHR 4782/4885THRB 4127/4885
US-20130232853-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN HAAO, HAO2, HACL2 OPRM1 3280/4885TSHR 4699/4885THRB 4021/4885
US-20250197341-A1 METHOD FOR INHIBITING CRYSTALLISATION FASN, SCD5, NFKB2 OPRM1 4200/4885TSHR 3901/4885THRB 4211/4885

“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.