SCHEMBL20175733

SCHEMBL20175733

CC1(C)c2ccccc2-c2cc(-c3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
ADORA1 P30542 1/20 0.41
PTPN1 P18031 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ADAMTS4 O75173 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT6 P42226 1/20 0.37
HIF1A Q16665 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 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
SCHEMBL31617 0.91 ALDH1A1 (0.51) ALDH1A1TDP1ADORA1PTPN1HSD17B10
SCHEMBL26014225 0.89 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1PTPN1MAPT
SCHEMBL17968337 0.89 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1PTPN1HSD17B10
SCHEMBL21217610 0.89 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1PTPN1HSD17B10
SCHEMBL29770928 0.89 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1PTPN1HSD17B10
SCHEMBL24730947 0.88 HSD11B1 (0.46) ALDH1A1TDP1ADORA1MAPTMAPK1
SCHEMBL15088994 0.87 TDP1 (0.38) ALDH1A1TDP1ADORA1HSD17B10MAPT
SCHEMBL26014283 0.87 HSD11B1 (0.41) ALDH1A1TDP1MAPTMAPK1MEN1
SCHEMBL26014284 0.87 RAB9A (0.44) ALDH1A1TDP1MAPTMAPK1NPC1
SCHEMBL17071057 0.86 ALDH1A1 (0.43) ALDH1A1TDP1ADORA1HSD17B10ADAMTS4

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-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 US disclosed
US-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-24 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 (3 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-20180141957-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 ALDH1A1 486/4885TDP1 1648/4885ADORA1 3717/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC ALDH1A1 641/4885TDP1 3544/4885ADORA1 4361/4885
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF OCIAD1, OCIAD2, EPCAM ALDH1A1 657/4885TDP1 2811/4885ADORA1 3279/4885

“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.