SCHEMBL4872727

SCHEMBL4872727

CC1(OC(=O)O)CCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
FFAR3 O14843 1/20 0.36
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 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
SCHEMBL25383032 1.00 CYP19A1 (0.43) CYP19A1FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL3693427 1.00 CYP19A1 (0.43) CYP19A1FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL12986569 0.97 CYP19A1 (0.41) CYP19A1FFAR3CYP2C19NPSR1TSHR
Ethyl Chloride SCHEMBL28018543 0.89 CYP19A1 (0.41) CYP19A1FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL3670104 0.87
Hydrochloric Acid SCHEMBL4398568 0.84
SCHEMBL4872716 0.82 CYP19A1 (0.44) CYP19A1FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6079757 0.82 CYP19A1 (0.44) CYP19A1FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL25383029 0.82 CYP19A1 (0.44) CYP19A1FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL12812736 0.80 CYP19A1 (0.43) CYP19A1FFAR3ALDH1A1SMN1; SMN2NPSR1

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 47 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-12036308-B2 Transparent liquid composition SHISEIDO COMPANY, LTD. (JP) 2024-07-16 US 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
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 4351/4885FFAR3 4478/4885CYP2C19 3306/4885
US-20250084050-A1 FRAGRANCE COMPOSITION TRPA1, C5, CBR1 CYP19A1 164/4885FFAR3 191/4885CYP2C19 219/4885
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 1437/4885FFAR3 130/4885CYP2C19 3387/4885
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 579/4885FFAR3 313/4885CYP2C19 412/4885

“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.