SCHEMBL4063595

SCHEMBL4063595

O=C(O)CCC(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
CPA3 P15088 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
KEAP1 Q14145 1/20 0.43
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL27587441 1.00 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL27985511 1.00 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL11822261 0.89 FFAR1 (0.50) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL27587412 0.88 HDAC3 (0.47) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL7319044 0.86 TBXAS1 (0.53) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL23757780 0.84 ALDH1A1 (0.47) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL3674189 0.80 CYP2D6 (0.54) CYP2D6ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL23570862 0.80 CA12 (0.48) ALDH1A1TSHRKDM4EPOLBHSD17B10
SCHEMBL16426389 0.80 CA12 (0.48) ALDH1A1TSHRKDM4EPOLBHSD17B10
SCHEMBL7390419 0.78 GABBR2 (0.53) CYP2D6CYP2C19CPA3MAPK1SRC

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
CN-119639276-A Ink composition, semiconductor nanoparticle-polymer composite prepared therefrom, electronic device, and display device 三星电子株式会社 2025-03-18 CN disclosed
WO-2015134467-A1 METHODS AND COMPOSITIONS FOR DIRECT RADIOACTIVE LABELING OF BIO-ACTIVE MOLECULES AND BUILDING BLOCKS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-09-11 WO disclosed
US-8846039-B2 Method for ameliorating pruritus ASAN LABORATORIES COMPANY (CAYMAN), LIMITED (TW) 2014-09-30 US disclosed
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 CN disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
US-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 US disclosed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP disclosed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN disclosed
EP-2030616-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-04 EP disclosed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
CN-1512983-A Compounds and compositions as cathepsins inhibitors AXYSҩ�﹫˾ 2004-07-14 CN disclosed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US disclosed
EP-0295604-A1 (E)-2-(p-Fluorophenethyl)-3-fluoroallylamine MERRELL DOW PHARMACEUTICALS INC. (US) 1988-12-21 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 (1 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 CYP2D6 3593/4885ALDH1A1 4054/4885CYP2C19 3711/4885

“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.