SCHEMBL17830890

SCHEMBL17830890

CC(C)c1cc(F)ccc1OCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KCNH2 Q12809 3/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
IDO1 P14902 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 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
SCHEMBL24869064 0.87 ALDH1A1 (0.44) ALDH1A1LMNAKCNH2TMEM97SIGMAR1
SCHEMBL9945953 0.85 HTR2A (0.46) ALDH1A1LMNAKCNH2KMT2ACYP1A2
SCHEMBL23037393 0.84 KCNH2 (0.53) ALDH1A1LMNAKCNH2TMEM97SIGMAR1
SCHEMBL23037391 0.84 KCNH2 (0.53) ALDH1A1LMNAKCNH2TMEM97SIGMAR1
SCHEMBL18907700 0.83 CYP1A2 (0.42) ALDH1A1LMNAKCNH2KMT2ACYP1A2
SCHEMBL11890399 0.82 L3MBTL1 (0.43) ALDH1A1KCNH2CYP1A2CYP2C19L3MBTL1
SCHEMBL18959732 0.81 ALDH1A1 (0.47) ALDH1A1LMNAIDO1KMT2AMEN1
SCHEMBL18908169 0.81 KCNH2 (0.39) ALDH1A1LMNAKCNH2TMEM97SIGMAR1
SCHEMBL11334122 0.80 HPGD (0.43) ALDH1A1LMNAIDO1KMT2ACYP1A2
SCHEMBL18961583 0.80 KCNH2 (0.38) ALDH1A1LMNAKCNH2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2021-03-09 US disclosed
EP-3380478-B1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2020-12-23 EP disclosed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 US disclosed
US-20190241582-A1 Triazole ACC inhibitors and uses thereof Nimbus Apollo, Inc. 2019-08-08 US disclosed
WO-2017091600-A9 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2018-07-19 WO disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 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 (7 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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 180/4885LMNA 3086/4885KCNH2 4595/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC ALDH1A1 185/4885LMNA 3921/4885KCNH2 3977/4885
US-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ALDH1A1 203/4885LMNA 3901/4885KCNH2 4441/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ALDH1A1 203/4885LMNA 3901/4885KCNH2 4441/4885
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof ACACA, ACACB, PC ALDH1A1 185/4885LMNA 3921/4885KCNH2 3977/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 ALDH1A1 203/4885LMNA 3901/4885KCNH2 4441/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 ALDH1A1 4205/4885LMNA 3013/4885KCNH2 3715/4885

“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.