SCHEMBL19242999

SCHEMBL19242999

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
S1PR4 O95977 4/20 0.49
S1PR2 O95136 2/20 0.45
GSK3B P49841 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G1B P04054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL19237535 0.81 S1PR4 (0.47) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10028047 0.79 HPGD (0.53) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL19785375 0.78 HSP90AA1 (0.56) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19243070 0.77 S1PR4 (0.42) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL266467 0.72 PTPN1 (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL18551784 0.71 GSK3B (0.56) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL14363094 0.71 L3MBTL1 (0.50) MAPTALDH1A1KDM4ETSHRGSK3B
SCHEMBL13680560 0.71 GSK3B (0.59) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1616485 0.71 ALDH1A1 (0.53) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7777278 0.71 HSP90AA1 (0.50) SMN1; SMN2KDM4ENPC1RAB9ATP53

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 MAPT 1353/4885ALDH1A1 2043/4885HPGD 3680/4885

“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.