SCHEMBL8514026

SCHEMBL8514026

COc1cc2c(O)cc3c(c2cc1N1CCNCC1)-c1ccc(-c2ccc(C(C)(C)C)cc2)cc1C3(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
NCF1 P14598 1/20 0.34
FYN P06241 1/20 0.34
HTR7 P34969 4/20 0.34
HTR6 P50406 2/20 0.33
ADRB1 P08588 1/20 0.33
DRD2 P14416 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TGFBR1 P36897 1/20 0.32
HTR1A P08908 3/20 0.32
TMEM97 Q5BJF2 2/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL8511374 0.92 MEN1 (0.33) LMNAMAPT
SCHEMBL8509708 0.85 CNR1 (0.35)
SCHEMBL30125445 0.85 CNR1 (0.35)
SCHEMBL8514919 0.84 PDE3B (0.31)
SCHEMBL8514916 0.84 PDE3B (0.31)
SCHEMBL1816275 0.82 KDM4E (0.36) HTR6DRD2DRD3MAPTHTR1A
SCHEMBL1816802 0.80 ALDH1A1 (0.40) FYNDRD2CYP2C19DRD3LMNA
SCHEMBL8511775 0.78 PDK2 (0.39) HTR7DRD2CYP2C19DRD3LMNA
SCHEMBL1816876 0.76 IDO1 (0.39) CYP2C19MAPT
SCHEMBL1814761 0.75 ALDH1A1 (0.36) CYP2C19LMNAMAPT

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 HTR3A 483/4885HTR3E 428/4885HTR3B 1075/4885

“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.