SCHEMBL14948739

SCHEMBL14948739

CC(C)O[C@@H](CO)c1ccccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.41
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
ABCB1 P08183 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD1 P21728 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
POLB P06746 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
SCHEMBL14945341 0.83 AGTR1 (0.45) KMT2AABCB1HTTLMNATSHR
SCHEMBL14945342 0.83 AGTR1 (0.45) KMT2AABCB1HTTLMNATSHR
SCHEMBL14945343 0.83 AGTR1 (0.45) KMT2AABCB1HTTLMNATSHR
SCHEMBL14945351 0.81 ABCB1 (0.42) KMT2AMEN1ABCB1ALDH1A1LMNA
SCHEMBL14948660 0.80 KCNK3 (0.43) ABCB1SMN1; SMN2ALDH1A1HPGD
SCHEMBL14945445 0.75 ESR1 (0.48) DRD1LMNAGAATSHRGABRA1
SCHEMBL21816493 0.75 DRD1 (0.39) ALOX12KMT2AMEN1RAB9AHTT
SCHEMBL29474990 0.74 ALOX12 (0.44) ALOX12KMT2AMEN1RAB9AHTT
SCHEMBL2497858 0.74 ALOX12 (0.44) ALOX12KMT2AMEN1RAB9AHTT
SCHEMBL2737257 0.74 NISCH (0.46) ALOX12KMT2AMEN1RAB9ADRD1

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-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
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

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-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALOX12 789/4885KMT2A 2071/4885MEN1 4200/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALOX12 789/4885KMT2A 2071/4885MEN1 4200/4885

“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.