SCHEMBL12290677

SCHEMBL12290677

Cc1ccccc1C(C)CC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ACP3 P15309 1/20 0.37
NR3C2 P08235 1/20 0.37
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 2/20 0.33
ADRB2 P07550 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL14661054 0.85 ADRA2A (0.39) ESR1TSHRALDH1A1CYP2D6ADRA2A
SCHEMBL473489 0.82 GABRA1 (0.40) TSHRPOLBCA1CA2CA9
SCHEMBL10490952 0.81 ESR1 (0.39) ESR1TSHRALDH1A1ACP3NR3C2
SCHEMBL4637099 0.80 ESR1 (0.42) ESR1TSHRALDH1A1ACP3NR3C2
SCHEMBL31378992 0.78 ESR1 (0.41) ESR1TSHRALDH1A1ACP3ACHE
SCHEMBL17755323 0.78 HTT (0.42) TSHRALDH1A1POLBCYP2C19CYP3A4
SCHEMBL3628966 0.78 ESR1 (0.41) ESR1TSHRALDH1A1ACP3ACHE
SCHEMBL2208943 0.78 ESR1 (0.41) ESR1TSHRALDH1A1ACP3ACHE
SCHEMBL17755070 0.78 ADRB2 (0.42) TSHRALDH1A1ACP3CYP2D6ADRB2
SCHEMBL18726501 0.78 CYP3A4 (0.41) TSHRALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009744-A1 PROCESSES FOR THE PREPARATION OF COMPOUNDS, SUCH AS 3-ARYLBUTANALS, USEFUL IN THE SYNTHESIS OF MEDETOMIDINE CAMBREX KARLSKOGA AB (SE) 2018-01-11 US disclosed
WO-2016120635-A1 PROCESSES FOR THE PREPARATION OF COMPOUNDS, SUCH AS 3-ARYLBUTANALS, USEFUL IN THE SYNTHESIS OF MEDETOMIDINE CAMBREX KARLSKOGA AB (SE) 2016-08-04 WO disclosed
EP-2358716-B1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME (US) 2016-01-06 EP disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8815875-B2 Inhibitors of fatty acid binding protein (FABP) MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 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 (2 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 ESR1 3079/4885TSHR 2940/4885ALDH1A1 781/4885
US-20180009744-A1 PROCESSES FOR THE PREPARATION OF COMPOUNDS, SUCH AS 3-ARYLBUTANALS, USEFUL IN THE SYNTHESIS OF MEDETOMIDINE CYP3A4, CYP2B6, CYP2E1 ESR1 3312/4885TSHR 1134/4885ALDH1A1 81/4885

“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.