SCHEMBL4872716

SCHEMBL4872716

CC1(OC(=O)OC2(C)CCCCCCC2)CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR3 O14843 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6079757 1.00 CYP19A1 (0.44) CYP19A1ALDH1A1SMN1; SMN2NPSR1FFAR3
SCHEMBL25383029 1.00 CYP19A1 (0.44) CYP19A1ALDH1A1SMN1; SMN2NPSR1FFAR3
SCHEMBL12986568 0.97 CYP19A1 (0.42) CYP19A1NPSR1FFAR3SCN1ASCN2A
SCHEMBL17847300 0.90 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2NPSR1SCN1A
SCHEMBL9500027 0.90 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2NPSR1SCN1A
SCHEMBL30599563 0.88 CYP19A1 (0.41) CYP19A1ALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL30527929 0.88 CYP19A1 (0.41) CYP19A1ALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL1439339 0.88 CYP19A1 (0.41) CYP19A1ALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL1439337 0.86 CYP19A1 (0.40) CYP19A1
SCHEMBL21514964 0.86 CYP19A1 (0.40) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
EP-4692252-A1 FUNCTIONAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2026-02-11 EP disclosed
US-20250084050-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2025-03-13 US disclosed
CN-118786128-A Compounds and methods for treating viral infections 吉利德科学公司 2024-10-15 CN disclosed
CN-118451170-A Cleaning agent composition 花王株式会社 2024-08-06 CN disclosed
US-20240150359-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2024-05-09 US disclosed
CN-113039259-B Transparent liquid composition 株式会社资生堂 2024-04-26 CN disclosed
EP-4353327-A1 PERFUME COMPOSITION Kao Corporation (JP) 2024-04-17 EP disclosed
EP-4320128-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-02-14 EP disclosed
CN-117545827-A Perfume composition 花王株式会社 2024-02-09 CN disclosed
EP-2857482-A1 PERFUME COMPOSITION Kao Corporation (JP) 2015-04-08 EP disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140221269-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-07 US disclosed
EP-1698726-B1 Fiber product treating agent KAO CORP (JP) 2013-10-23 EP disclosed
US-7381345-B2 Fiber product treating agent KAO CORPORATION (JP) 2008-06-03 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
US-20060198808-A1 Increasing the longevity of perfume contained in a fiber product treating agent by adding a long-chain alkyl- or alkenylamine, amine salt or quaternary ammonium salt in which the chain may be interrupted by a secondary amide group: N-[3-(dimethylamino)propyl]- stearamide or behenamide KAO CORPORATION (JP) 2006-09-07 US disclosed
EP-1698726-A1 Fiber product treating agent Kao Corporation (JP) 2006-09-06 EP disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO 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-20240150359-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT CYP19A1 4351/4885ALDH1A1 1784/4885SMN1; SMN2 1064/4885
US-20250084050-A1 FRAGRANCE COMPOSITION TRPA1, C5, CBR1 CYP19A1 164/4885ALDH1A1 447/4885SMN1; SMN2 3929/4885
US-20060198808-A1 Increasing the longevity of perfume contained in a fiber product treating agent by adding a long-chain alkyl- or alkenylamine, amine salt or quaternary ammonium salt in which the chain may be interrupted by a secondary amide group: N-[3-(dimethylamino)propyl]- stearamide or behenamide CERT1, FAAH, FAAH2 CYP19A1 1437/4885ALDH1A1 2799/4885SMN1; SMN2 262/4885
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 CYP19A1 579/4885ALDH1A1 672/4885SMN1; SMN2 4800/4885

“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.