SCHEMBL7788152

SCHEMBL7788152

Cc1cc(C)c(C(=O)O)c(C)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPK1 P28482 1/20 0.68
POLB P06746 2/20 0.50
CYP3A4 P08684 2/20 0.45
ACHE P22303 1/20 0.45
CYP1A2 P05177 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NOTUM Q6P988 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL31125623 1.00 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL8686340 0.84 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL5391695 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL2381068 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1POLBCYP1A2
SCHEMBL4746949 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1CYP3A4ACHE
SCHEMBL22445800 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL14353515 0.81 POLB (0.69) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL3340047 0.81 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL4698528 0.81 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2MAPK1POLBCYP3A4
SCHEMBL31633618 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085200-C Process for producing dimethylamine MITSUBISHI NITTO K K (JP) 2002-05-22 CN claimed
EP-0744395-B1 PROCESS FOR PRODUCING DIMETHYLAMINE MITSUBISHI RAYON CO (JP) 2001-10-31 EP claimed
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
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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 (5 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ALDH1A1 1981/4885SMN1; SMN2 2699/4885MAPK1 808/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL ALDH1A1 1981/4885SMN1; SMN2 2699/4885MAPK1 808/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885SMN1; SMN2 2223/4885MAPK1 1100/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885SMN1; SMN2 2223/4885MAPK1 1100/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 ALDH1A1 2168/4885SMN1; SMN2 2223/4885MAPK1 1100/4885

“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.