SCHEMBL14948690

SCHEMBL14948690

CCCCOCc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM3 P20309 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
LTA4H P09960 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL10383611 0.93 IDO1 (0.47) IDO1HPGDHTTTSHRALDH1A1
SCHEMBL9257760 0.93 IDO1 (0.47) IDO1HPGDHTTTSHRALDH1A1
SCHEMBL7222677 0.89 IDO1 (0.53) IDO1HPGDHTTPARP10TSHR
SCHEMBL18171754 0.88 IDO1 (0.57) IDO1HPGDHTTPARP10TSHR
SCHEMBL18171753 0.88 IDO1 (0.57) IDO1HPGDHTTPARP10TSHR
SCHEMBL647824 0.86 LTA4H (0.45) HPGDTSHRALDH1A1CYP3A4LTA4H
SCHEMBL29618448 0.86 LTA4H (0.45) HPGDTSHRALDH1A1CYP3A4LTA4H
Alcohol SCHEMBL23234322 0.84 IDO1 (0.46) IDO1HPGDHTTPARP10TSHR
SCHEMBL18171748 0.84 IDO1 (0.61) IDO1HTTPARP10TSHRALDH1A1
SCHEMBL9419149 0.82 IDO1 (0.59) IDO1HPGDHTTPARP10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 IDO1 4016/4885HPGD 872/4885HTT 3877/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 IDO1 4016/4885HPGD 872/4885HTT 3877/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 IDO1 4016/4885HPGD 872/4885HTT 3877/4885

“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.