SCHEMBL3826832

SCHEMBL3826832

Nc1ccc2ccccc2c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 5/20 0.52
TSHR P16473 3/20 0.52
HPGD P15428 3/20 0.52
CYP3A4 P08684 1/20 0.52
KEAP1 Q14145 1/20 0.52
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPRT1 P00492 3/20 0.48
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
F12 P00748 1/20 0.40

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
SCHEMBL31404828 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL31589324 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL31390038 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL29418178 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL3836747 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL30366237 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL64806 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL455943 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL29930545 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL5511047 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406597-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2019-10-30 EP disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 ALDH1A1 99/4885HSD17B10 68/4885TSHR 2155/4885

“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.