SCHEMBL13192514

SCHEMBL13192514

c1cc(-c2c3ccccc3nc3ccccc23)c2c(-c3c4ccccc4nc4ccccc34)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
HSD17B10 Q99714 6/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 3/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
HPGD P15428 6/20 0.45
CASP1 P29466 5/20 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
SCHEMBL19609002 0.85 KMT2A (0.53) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL27961756 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL28129642 0.79 ESR1 (0.56) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL13382365 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL1263246 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRMAPTMAPK1
SCHEMBL30123188 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRMAPTMAPK1
SCHEMBL12202345 0.77 ESR1 (0.46) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL1502392 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL1187919 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2
SCHEMBL19608972 0.75 ADORA2A (0.56) ALDH1A1HSD17B10TSHRMAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085511-B2 Atropisomeric 1,8-bisphenolnapthalenes and their use in enantioselective recognition and asymmetric synthesis GEORGETOWN UNIVERSITY (US) 2015-07-21 US disclosed
US-9085511-B2 Atropisomeric 1,8-bisphenolnapthalenes and their use in enantioselective recognition and asymmetric synthesis GEORGETOWN UNIVERSITY (US) 2015-07-21 US disclosed
US-20140128637-A1 ATROPISOMERIC 1,8-BISPHENOLNAPTHALENES AND THEIR USE IN ENANTIOSELECTIVE RECOGNITION AND ASYMMETRIC SYNTHESIS NATIONAL SCIENCE FOUNDATION 2014-05-08 US disclosed
US-20140128637-A1 ATROPISOMERIC 1,8-BISPHENOLNAPTHALENES AND THEIR USE IN ENANTIOSELECTIVE RECOGNITION AND ASYMMETRIC SYNTHESIS NATIONAL SCIENCE FOUNDATION 2014-05-08 US disclosed
WO-2012138654-A2 ATROPISOMERIC 1,8-BISPHENOLNAPTHALENES AND THEIR USE IN ENANTIOSELECTIVE RECOGNITION AND ASYMMETRIC SYNTHESIS GEORGETOWN UNIVERSITY (US) 2012-10-11 WO 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-20140128637-A1 ATROPISOMERIC 1,8-BISPHENOLNAPTHALENES AND THEIR USE IN ENANTIOSELECTIVE RECOGNITION AND ASYMMETRIC SYNTHESIS CYP2A7, CYP4A11, CYP2C8 ALDH1A1 587/4885HSD17B10 152/4885TSHR 3248/4885

“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.