SCHEMBL17465475

SCHEMBL17465475

CC(C)(C)c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ KIF11 P52732 4/20 0.42
▸ CYP19A1 P11511 2/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ ASIC1 P78348 1/20 0.38
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 2/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17465502 0.97 DHODH (0.44) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL15641761 0.97 PTGES (0.43) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL15166326 0.97 DHODH (0.41) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL15641753 0.97 PTGES (0.43) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL17465507 0.97 DHODH (0.44) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL14447688 0.91 KIF11 (0.48) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL17849332 0.91 KIF11 (0.48) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL18372419 0.91 KIF11 (0.48) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL16344297 0.91 KIF11 (0.48) DHODHPTGESALOX5KIF11CYP19A1
SCHEMBL15641750 0.91 RXRA (0.43) DHODHPTGESALOX5KIF11CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
US-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-06-08 — — US disclosed
WO-2016013816-A1 ORGANIC ELECTRICAL ELEMENT USING COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-01-28 — — 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-20170162813-A1 ORGANIC ELECTRONIC ELEMENT USING A COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND AN ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 DHODH 2151/4885PTGES 2237/4885ALOX5 1458/4885

“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.

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