SCHEMBL504013

SCHEMBL504013

CCC(CC)(C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
HDAC1 Q13547 2/20 0.49
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 2/20 0.46
HTT P42858 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.42
KCNN4 O15554 2/20 0.42
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 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
Hydrogen Sulfide SCHEMBL27877649 0.98 ALDH1A1 (0.55) ALDH1A1TSHRHDAC1CYP2C19HIF1A
Hydrogen Sulfide SCHEMBL28874622 0.98 ALDH1A1 (0.55) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL6761465 0.90 ALDH1A1 (0.52) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL3470651 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL22341302 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL6758063 0.88 CYP2C19 (0.55) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL22341336 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL1076574 0.88 TSHR (0.50) ALDH1A1TSHRHDAC1CYP2C19HIF1A
SCHEMBL11042477 0.86 ALDH1A1 (0.49) ALDH1A1TSHRHDAC1CYP2C19HIF1A
Hydrochloric Acid SCHEMBL21632037 0.86 ALDH1A1 (0.49) ALDH1A1TSHRHDAC1CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776900-A Preparation method of 2-phenyl-2-ethylbutyric acid 安庆双启医药科技有限公司 2024-03-29 CN claimed
US-20130281729-A1 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS AET GROUP (FR) 2013-10-24 US claimed
EP-2651870-A2 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS Aet Group (FR) 2013-10-23 EP claimed
WO-2012080647-A2 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS AET GROUP (FR) 2012-06-21 WO claimed
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 CN claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
EP-1284957-B1 PURIFICATION METHOD OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINE KANEKA CORP (JP) 2008-05-07 EP 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-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
CN-117776900-A Preparation method of 2-phenyl-2-ethylbutyric acid 安庆双启医药科技有限公司 2024-03-29 CN disclosed
CN-117776900-A Preparation method of 2-phenyl-2-ethylbutyric acid 安庆双启医药科技有限公司 2024-03-29 CN disclosed
EP-0258089-A1 Process for preparing solid components of catalysts, or precursors of such components, in the form of microspheroidal particles, suitable for the preparation of ethylene polymers Montedison S.p.A. (IT) 1988-03-02 EP disclosed
EP-0255790-A1 Process for the polymerization of alpha-olefins or of their mixtures with minor amounts of ethylene, by means of catalysts comprising solid components or precursors of such components, in the form of microspheroidal particles Montedison S.p.A. (IT) 1988-02-10 EP disclosed
US-4146637-A ANTIALLERGENS LUDWIG MERCKLE K.G., CHEM. PHARM. FABRIK (DE) 1979-03-27 US disclosed
US-4117144-A ANTIDEPRESSANTS AB KABI (SE) 1978-09-26 US disclosed
US-3947451-A TREATMENT OF PSYCHIATRIC AND PSYCHOSOMATIC DISEASES AB KABI (SW) 1976-03-30 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 (3 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-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885TSHR 2567/4885HDAC1 571/4885
US-20130281729-A1 CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS ADH1A, ADH5, ADH1C ALDH1A1 26/4885TSHR 3689/4885HDAC1 1741/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885TSHR 2567/4885HDAC1 571/4885

“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.