SCHEMBL19237535

SCHEMBL19237535

COc1ccc(Cl)c(-c2ccc(C(C)C)o2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 6/20 0.47
S1PR2 O95136 3/20 0.43
S1PR5 Q9H228 2/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR3 Q99500 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL13809597 0.82 S1PR4 (0.52) S1PR4S1PR2S1PR5MAPTALDH1A1
SCHEMBL19242999 0.81 MAPT (0.54) S1PR4S1PR2MAPTALDH1A1HPGD
SCHEMBL19785375 0.75 HSP90AA1 (0.56) MAPTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL19243070 0.75 S1PR4 (0.42) S1PR4S1PR2MAPTALDH1A1HPGD
SCHEMBL18539942 0.73 HSD17B1 (0.50) NPC1RAB9ACYP1A2CYP2A6
SCHEMBL9970933 0.73 ALDH1A1 (0.50) S1PR4MAPTALDH1A1HPGDLMNA
SCHEMBL1494043 0.72 HTR2A (0.46) HSP90AA1HSP90AB1MAPK1MEN1KMT2A
SCHEMBL21119020 0.71 MAPT (0.56) S1PR4S1PR2S1PR5MAPTALDH1A1
SCHEMBL18898793 0.69 HSP90AA1 (0.42) HSP90AA1HSP90AB1MEN1KMT2ANPC1
SCHEMBL8342327 0.69 HTR2A (0.50) HSP90AA1HSP90AB1LMNACYP1A2CYP2A6

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-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US 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 S1PR4 45/4885S1PR2 95/4885S1PR5 181/4885

“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.