SCHEMBL17705653

SCHEMBL17705653

NN=Nc1cc2ccccc2c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
RAD52 P43351 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP1A2 P05177 4/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HIF1A Q16665 3/20 0.43
CYP1B1 Q16678 1/20 0.43
HPRT1 P00492 3/20 0.41
TSHR P16473 2/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7915302 0.87 POLB (0.61) POLBMAPTPKMRAD52TAAR1
SCHEMBL7894503 0.74 HSD17B10 (0.50) POLBMAPTCYP1A2MAOAALDH1A1
SCHEMBL18913894 0.74 HSD17B10 (0.50) POLBMAPTCYP1A2MAOAALDH1A1
SCHEMBL18348885 0.74 POLB (0.57) POLBMAPTPKMRAD52TAAR1
SCHEMBL7789619 0.74 HSD17B10 (0.50) POLBMAPTCYP1A2MAOAALDH1A1
SCHEMBL28173877 0.74 MAPT (0.57) POLBMAPTPKMRAD52TAAR1
SCHEMBL17211134 0.73 POLB (0.56) POLBMAPTPKMRAD52TAAR1
SCHEMBL11576087 0.72 MAPT (0.50) POLBMAPTPKMRAD52TAAR1
SCHEMBL11576090 0.72 MAPT (0.50) POLBMAPTPKMRAD52TAAR1
SCHEMBL11787347 0.69 ALDH1A1 (0.60) POLBMAPTPKMRAD52TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-28 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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 POLB 1904/4885MAPT 3385/4885PKM 2445/4885

“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.