SCHEMBL8513375

SCHEMBL8513375

CC1CN(c2ccc(C(=O)c3ccccc3)cc2)CCN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 2/20 0.64
USP2 O75604 2/20 0.64
HPGD P15428 4/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
STAT1 P42224 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADRB1 P08588 4/20 0.51
POLB P06746 1/20 0.48
KHK P50053 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HDAC1 Q13547 1/20 0.45

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
SCHEMBL1922775 0.87 USP2 (0.58) ALDH1A1TSHRHSD17B10USP2HPGD
SCHEMBL3770301 0.84 NPC1 (0.47) ALDH1A1TSHRHSD17B10USP2MAPT
SCHEMBL22802008 0.84 NPC1 (0.47) ALDH1A1TSHRHSD17B10USP2MAPT
SCHEMBL3770299 0.84 NPC1 (0.47) ALDH1A1TSHRHSD17B10USP2MAPT
SCHEMBL15378488 0.83 KHK (0.57) ALDH1A1HSD17B10MAPTLMNAALOX15
SCHEMBL4246310 0.83 KHK (0.57) ALDH1A1HSD17B10MAPTLMNAALOX15
SCHEMBL4246315 0.83 KHK (0.57) ALDH1A1HSD17B10MAPTLMNAALOX15
SCHEMBL8183599 0.82 ACVR1 (0.48) ALDH1A1TSHRHSD17B10USP2MAPT
Hydrochloric Acid SCHEMBL15819287 0.81 KHK (0.56) ALDH1A1HSD17B10MAPTLMNAALOX15
SCHEMBL5268403 0.80 KHK (0.52) ALDH1A1TSHRHSD17B10USP2HPGD

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-9139552-B2 Indeno-fused naphthopyrans having ethylenically unsaturated groups TRANSITIONS OPTICAL, INC. (US) 2015-09-22 US disclosed
WO-2013090220-A1 INDENO-FUSED NAPHTHOPYRANS HAVING ETHYLENICALLY UNSATURATED GROUPS PPG INDUSTRIES, INC. (US) 2013-06-20 WO disclosed
US-20120132870-A1 Indeno-Fused Naphthopyrans Having Ethylenically Unsaturated Groups TRANSITIONS OPTICAL INC. (US) 2012-05-31 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-20120132870-A1 Indeno-Fused Naphthopyrans Having Ethylenically Unsaturated Groups ACR, INTS6, B3GNT2 ALDH1A1 318/4885TSHR 4437/4885HSD17B10 2510/4885

“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.