SCHEMBL9928399

SCHEMBL9928399

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5cc(OC)ccc5c3O2)-c2ccc(-c3ccccc3OC)cc2C4(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PRKDC P78527 3/20 0.35
STK10 O94804 1/20 0.34

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
SCHEMBL9898614 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL18102198 0.93 PRKDC (0.36) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL25607195 0.91 PRKDC (0.36) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL1186030 0.90 PRKDC (0.36) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL9926880 0.90 PRKDC (0.36) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL25607198 0.90 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL25844763 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL18102227 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL25607201 0.88 AKT1 (0.36) ALDH1A1KDM4EMAPTLMNARAB9A
SCHEMBL25718378 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTLMNANPC1

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-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 ALDH1A1 431/4885KDM4E 1472/4885MAPT 2224/4885

“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.