SCHEMBL1972891

SCHEMBL1972891

FC1(F)C=Cc2ccc3ccccc3c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
CYP2A6 P11509 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HPRT1 P00492 2/20 0.34
CES1 P23141 2/20 0.34
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 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
SCHEMBL8681014 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL9917550 0.79 HSD17B10 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL26289831 0.77 KDM4E (0.35) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8870392 0.76 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8680618 0.74 ADRA1D (0.40) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL26289822 0.73 ALDH1A1 (0.32) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL28559831 0.73 HPGD (0.36) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL30612722 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL8681961 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL4625971 0.72 HTR2C (0.36) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8029696-B2 Fused naphthalenes MERCK PATENT GMBH (DE) 2011-10-04 US disclosed
EP-2044172-B1 FUSED NAPHTHALENES MERCK PATENT GMBH (DE) 2011-06-22 EP disclosed
US-20100059711-A1 FUSED NAPHTHALENES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-03-11 US disclosed
EP-2044172-A1 FUSED NAPHTHALENES Merck Patent GmbH (DE) 2009-04-08 EP disclosed
WO-2008012180-A9 FUSED NAPHTHALENES MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
WO-2008012180-A1 FUSED NAPHTHALENES MERCK PATENT GMBH (DE) 2008-01-31 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-20100059711-A1 FUSED NAPHTHALENES CCNE2, CCNE1, F12 ALDH1A1 1986/4885HSD17B10 2258/4885TSHR 3482/4885

“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.