SCHEMBL2801565

SCHEMBL2801565

CNc1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP2A6 P11509 2/20 0.41
WDR5 P61964 1/20 0.40
NUDT1 P36639 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
HPRT1 P00492 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CDC25B P30305 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL12787291 0.88 HSD17B10 (0.48) MAPTIDO1ALDH1A1HSD17B10TSHR
Ammonia Solution, Strong SCHEMBL3389831 0.86 ALDH1A1 (0.46) MAPTIDO1ALDH1A1HSD17B10TSHR
SCHEMBL29786639 0.79 ALOX15 (0.45) MAPTIDO1ALDH1A1HSD17B10TSHR
SCHEMBL15303990 0.79 ALOX15 (0.45) MAPTIDO1ALDH1A1HSD17B10TSHR
SCHEMBL18162740 0.79 TSHR (0.48) MAPTIDO1ALDH1A1HSD17B10TSHR
SCHEMBL31243247 0.79 ALDH1A1 (0.58) MAPTALDH1A1HSD17B10TSHRTDP1
SCHEMBL11848196 0.79 ALDH1A1 (0.58) MAPTALDH1A1HSD17B10TSHRTDP1
SCHEMBL28417103 0.78 IDO1 (0.56) MAPTIDO1ALDH1A1HSD17B10TDP1
SCHEMBL31321397 0.78 CYP3A4 (0.56) MAPTALDH1A1HSD17B10TSHRTDP1
SCHEMBL75892 0.78 THRB (0.41) MAPTALDH1A1HSD17B10TSHRTDP1

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
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 CN disclosed
US-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (PA) 2010-08-26 US disclosed
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 EP disclosed
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 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-20100215579-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, PSEN1, PSEN2 MAPT 6/4885IDO1 1131/4885ALDH1A1 4509/4885

“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.