SCHEMBL6135142

SCHEMBL6135142

Cc1ccc([C@@H]2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MAOB P27338 7/20 0.42
CHRM2 P08172 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAPT P10636 1/20 0.38
GSTO1 P78417 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
SCHEMBL6482473 1.00 TSHR (0.56) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL1120426 1.00 TSHR (0.56) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL10684124 0.97 TSHR (0.54) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL10684133 0.97 TSHR (0.54) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL12841102 0.93 TSHR (0.50) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL13839948 0.87 TSHR (0.45) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL46155 0.86 TSHR (0.72) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL10689902 0.84 CHRM2 (0.42) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL10688813 0.84 TSHR (0.42) TSHRALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL10688802 0.84 TSHR (0.42) TSHRALDH1A1LMNAALOX12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115927276-B Halohydrin dehalogenase mutant and application thereof in synthesis of chiral oxazolidinone 中国科学院天津工业生物技术研究所 2024-08-27 CN claimed
CN-115927276-B Halohydrin dehalogenase mutant and application thereof in synthesis of chiral oxazolidinone 中国科学院天津工业生物技术研究所 2024-08-27 CN disclosed
CN-115927276-A Halogen alcohol dehalogenase mutant and application thereof in synthesizing chiral oxazolidinone 中国科学院天津工业生物技术研究所 2023-04-07 CN disclosed
US-9012452-B2 Processes for making cyclopropyl amide derivatives and intermediates associated therewith ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
US-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH ASTRAZENECA AB (SE) 2013-07-04 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 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-20130172560-A1 PROCESSES FOR MAKING CYCLOPROPYL AMIDE DERIVATIVES AND INTERMEDIATES ASSOCIATED THEREWITH HRH4, HRH2, HRH3 TSHR 419/4885ALDH1A1 398/4885LMNA 4847/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 TSHR 913/4885ALDH1A1 1520/4885LMNA 4038/4885
US-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 TSHR 1056/4885ALDH1A1 664/4885LMNA 2444/4885

“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.