SCHEMBL19242940

SCHEMBL19242940

COc1cc(C)ccc1OCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 7/20 0.50
L3MBTL1 Q9Y468 6/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
MAOB P27338 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CSF1R P07333 1/20 0.49

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
SCHEMBL22381399 0.92 BRD4 (0.52) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL13929729 0.90 ACHE (0.61) ACHENPC1RAB9AHPGDL3MBTL1
SCHEMBL13929725 0.85 ACHE (0.55) ACHENPC1RAB9AHPGDL3MBTL1
SCHEMBL13929726 0.85 ACHE (0.55) ACHENPC1RAB9AHPGDL3MBTL1
SCHEMBL19243095 0.84 KMT2A (0.53) NPC1RAB9AHPGDMAPTKMT2A
SCHEMBL17858626 0.84 MRGPRX4 (0.53) NPC1RAB9AHPGDL3MBTL1MAPT
SCHEMBL13929727 0.84 MRGPRX4 (0.63) ACHENPC1RAB9AHPGDL3MBTL1
SCHEMBL15588794 0.83 MRGPRX4 (0.56) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL171847 0.83 NPC1 (0.58) ACHENPC1RAB9AHPGDL3MBTL1
SCHEMBL12864874 0.83 MAOB (0.56) ACHENPC1RAB9AHPGDL3MBTL1

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
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 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 (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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 ACHE 4733/4885NPC1 2/4885RAB9A 1559/4885

“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.