SCHEMBL5357367

SCHEMBL5357367

Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(I)cc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.40
▸ HSD17B2 P37059 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PAX8 Q06710 1/20 0.35

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
SCHEMBL4794903 0.95 ALDH1A1 (0.41) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL15088351 0.92 HSD17B1 (0.39) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL1107803 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL22356719 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL13017727 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL3443345 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL5143671 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL21922635 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL2929456 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4
SCHEMBL13197684 0.91 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9208533-A — — None — — JP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 — — US disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 — — US disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 — — US disclosed
WO-2014167286-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2014-10-16 — — WO disclosed
US-20110236811-A1 CHARGE TRANSPORT LAYER AND COATING SOLUTION FOR FORMING THE SAME XEROX CORPORATION (US) 2011-09-29 — — US disclosed
US-20110236811-A1 CHARGE TRANSPORT LAYER AND COATING SOLUTION FOR FORMING THE SAME XEROX CORPORATION (US) 2011-09-29 — — US disclosed
US-7271291-B2 1,3,5-tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 — — US disclosed
US-20060173216-A1 Novel 1, 3, 5 tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-03 — — US disclosed
EP-1310539-B1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL CO (JP) 2005-03-16 — — EP disclosed
US-6830832-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-14 — — US disclosed
US-20030165713-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-04 — — US disclosed
EP-1310539-A1 Polymer compound and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-14 — — EP disclosed
US-5891587-A ORGANIC ELECTROLUMINESCENT DEVICE COMPRISED OF ANODE, CATHODE, STARBURST AROMATIC AMINE COMPOUND XEROX CORPORATION (US) 1999-04-06 — — US disclosed
US-5747205-A STARBURST AROMATIC AMINES XEROX CORPORATION (US) 1998-05-05 — — US disclosed
EP-0827367-A2 Electroluminescent devices XEROX CORPORATION (US) 1998-03-04 — — EP disclosed
JP-H09208533-A TRIAMINE COMPOUND IDEMITSU KOSAN CO LTD 1997-08-12 — — JP 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-20060173216-A1 Novel 1, 3, 5 tris (arylamino) benzenes HSPA4L, HSPA1A, GAPVD1 HSD17B1 3920/4885HSD17B2 4250/4885ALDH1A1 1122/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 HSD17B1 1830/4885HSD17B2 1931/4885ALDH1A1 789/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 HSD17B1 1830/4885HSD17B2 1931/4885ALDH1A1 789/4885

“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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