SCHEMBL18914636

SCHEMBL18914636

CCc1cc(F)ccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.46
LTB4R2 Q9NPC1 6/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
NTRK1 P04629 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 3/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
TUBB1 Q9H4B7 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL23188908 0.86 HTR2C (0.48) HTR2CHTR2BL3MBTL1KDM4EMAPT
SCHEMBL11919293 0.84 L3MBTL1 (0.45) LTB4RLTB4R2HTR2CHTR2BL3MBTL1
SCHEMBL12634447 0.84 KCNH2 (0.44) LTB4RLTB4R2HTR2CHTR2BNTRK1
SCHEMBL28043329 0.83 L3MBTL1 (0.44) LTB4RLTB4R2HTR2CHTR2BL3MBTL1
SCHEMBL18977773 0.83 L3MBTL1 (0.51) LTB4RLTB4R2L3MBTL1KDM4EMAPT
SCHEMBL15417752 0.82 L3MBTL1 (0.52) L3MBTL1KDM4EMAPTNPSR1KCNH2
SCHEMBL9631985 0.81 KCNH2 (0.54) HTR2CHTR2BL3MBTL1MAPTKCNH2
SCHEMBL4311769 0.81 HTR2C (0.55) HTR2CHTR2BL3MBTL1MAPTKCNH2
SCHEMBL25475056 0.80 MRGPRX4 (0.47) LTB4RLTB4R2L3MBTL1KDM4EMAPT
SCHEMBL12634522 0.80 KCNH2 (0.48) LTB4RLTB4R2HTR2CHTR2BNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3786167-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF Primegene (Beijing) Co., Ltd. (CN) 2021-03-03 EP disclosed
US-20190241582-A1 Triazole ACC inhibitors and uses thereof Nimbus Apollo, Inc. 2019-08-08 US 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 (1 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-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 LTB4R 3374/4885LTB4R2 3481/4885HTR2C 4420/4885

“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.