SCHEMBL18906962

SCHEMBL18906962

CC(C)c1ccccc1OCC1COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
NISCH Q9Y2I1 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
RIPK1 Q13546 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL22479875 0.85 RIPK1 (0.53) ADRB2ADRB1ADRB3NISCHKMT2A
SCHEMBL24499218 0.82 MEN1 (0.47) ADRB2ADRB1ADRB3NISCHKMT2A
SCHEMBL26505546 0.82 MEN1 (0.47) ADRB2ADRB1ADRB3NISCHKMT2A
SCHEMBL4897371 0.82 ALDH1A1 (0.65) ADRB2ADRB1ADRB3NISCHKMT2A
SCHEMBL18907906 0.82 HTR2A (0.41) IRAK4HTR1AHTR7
SCHEMBL22479876 0.81 MEN1 (0.49) ADRB2ADRB1ADRB3NISCHKMT2A
SCHEMBL18959734 0.80 ALDH1A1 (0.39) ADRB2ALDH1A1L3MBTL1LMNAIRAK4
SCHEMBL18964615 0.78 ALDH1A1 (0.69) NISCHKMT2AMEN1ALDH1A1GLA
SCHEMBL18907374 0.75 RIPK1 (0.50) NISCHKMT2AMEN1ALDH1A1GLA
SCHEMBL24498230 0.75 NISCH (0.40) ADRB2ADRB1ADRB3NISCHKMT2A

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 14 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-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-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
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
WO-2017091600-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 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 (6 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 ADRB2 4155/4885ADRB1 3097/4885ADRB3 2175/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC ADRB2 3458/4885ADRB1 2675/4885ADRB3 1204/4885
US-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ADRB2 3492/4885ADRB1 2741/4885ADRB3 1121/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 ADRB2 3492/4885ADRB1 2741/4885ADRB3 1121/4885
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof ACACA, ACACB, PC ADRB2 3458/4885ADRB1 2675/4885ADRB3 1204/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 ADRB2 3492/4885ADRB1 2741/4885ADRB3 1121/4885

“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.