SCHEMBL172659

SCHEMBL172659

Fc1cccc(F)c1CCI

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.45
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DAO P14920 2/20 0.40
GAA P10253 1/20 0.38
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
BACE1 P56817 1/20 0.32
HTT P42858 1/20 0.32
CYP2A13 Q16696 1/20 0.32

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
SCHEMBL3612078 0.84 TAAR1 (0.68) TAAR1DAOGAAKDM4ESMN1; SMN2
SCHEMBL170930 0.84 ACHE (0.44) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL7701701 0.83 TAAR1 (0.52) TAAR1ALDH1A1DAOGAAKDM4E
SCHEMBL6206211 0.79 TAAR1 (0.45) TAAR1ALDH1A1DAOGAAKDM4E
SCHEMBL7030193 0.78 TAAR1 (0.43) TAAR1ALDH1A1DAOGAAKDM4E
SCHEMBL6085227 0.76 TAAR1 (0.71) TAAR1ALDH1A1DAOGAASMN1; SMN2
SCHEMBL18243095 0.75 TAAR1 (0.42) TAAR1ALDH1A1DAOGAAKDM4E
SCHEMBL170879 0.74 TAAR1 (0.45) TAAR1ALDH1A1HPGDDAOGAA
SCHEMBL249134 0.74 TAAR1 (0.45) TAAR1ALDH1A1HPGDDAOGAA
SCHEMBL17552668 0.74 TAAR1 (0.45) TAAR1ALDH1A1DAOGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970760-B ACC inhibitors and uses thereof 吉利德阿波罗公司 2022-04-26 CN disclosed
EP-3628320-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2022-03-16 EP disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
EP-3628320-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2020-04-01 EP disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
EP-2776038-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo Inc. (US) 2014-09-17 EP disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 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 (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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885ALDH1A1 104/4885HPGD 872/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TAAR1 4603/4885ALDH1A1 144/4885HPGD 335/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TAAR1 3983/4885ALDH1A1 89/4885HPGD 396/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 TAAR1 4250/4885ALDH1A1 104/4885HPGD 872/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TAAR1 4250/4885ALDH1A1 104/4885HPGD 872/4885

“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.