SCHEMBL3955231

SCHEMBL3955231

Cc1c(C#N)cc(C#N)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
ALB P02768 2/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 2/20 0.42
VCAM1 P19320 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC8 Q9BY41 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
NISCH Q9Y2I1 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
SCHEMBL11981519 0.87 TSHR (0.39) TTRALBCYP2A6ALDH1A1VCAM1
SCHEMBL11981507 0.84 TRPV4 (0.38) TTRALBCYP2A6ALDH1A1VCAM1
SCHEMBL15806352 0.84 AR (0.38) TTRALBCYP2A6ALDH1A1VCAM1
SCHEMBL26840549 0.84 TTR (0.35) TTRALBCYP2A6ALDH1A1VCAM1
SCHEMBL11948728 0.80 TSHR (0.40) CYP2A6ALDH1A1TSHRKMT2AGRIN2D
SCHEMBL22460172 0.79 TTR (0.32) TTRALBCYP2A6ALDH1A1VCAM1
SCHEMBL8658135 0.77 KDM4E (0.41) TTRALBMEN1KMT2AGPR35
SCHEMBL29913745 0.77 TSHR (0.42) CYP2A6ALDH1A1TSHRMEN1KMT2A
SCHEMBL11948729 0.76 HPGD (0.38) CYP2A6ALDH1A1VCAM1TSHRGPR35
SCHEMBL20309520 0.76 TSHR (0.37) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873407-B2 Diketopyrrolopyrrole pigment compound having high weathering resistance and preparation method therof CINIC CHEMICALS (SHANGHAI) CO., LTD. (CN) 2024-01-16 US claimed
EP-2049552-B1 PROCESS FOR THE DIRECT SYNTHESIS OF TRIALKOXYSILANE MOMENTIVE PERFORMANCE MAT INC (US) 2012-08-08 EP claimed
CN-101501044-A Process for the direct synthesis of trialkoxysilane MOMENTIVE PERFORMANCE MAT INC (US) 2009-08-05 CN claimed
EP-2049552-A1 PROCESS FOR THE DIRECT SYNTHESIS OF TRIALKOXYSILANE Momentive Performance Materials Inc. (US) 2009-04-22 EP claimed
US-7429672-B2 Process for the direct synthesis of trialkoxysilane MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-09-30 US claimed
WO-2007145981-A1 PROCESS FOR THE DIRECT SYNTHESIS OF TRIALKOXYSILANE MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2007-12-21 WO claimed
US-20070287850-A1 Process for the direct synthesis of trialkoxysilane MOMENTIVE PERFORMANCE MATERIALS INC. 2007-12-13 US claimed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 US claimed
US-12048238-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-23 US disclosed
US-20240244950-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244952-A1 ORGANIC LIGHT-EMITTING DEVICE AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244870-A1 LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-7429672-B2 Process for the direct synthesis of trialkoxysilane MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-09-30 US disclosed
WO-2007145981-A1 PROCESS FOR THE DIRECT SYNTHESIS OF TRIALKOXYSILANE MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2007-12-21 WO disclosed
US-20070287850-A1 Process for the direct synthesis of trialkoxysilane MOMENTIVE PERFORMANCE MATERIALS INC. 2007-12-13 US disclosed
EP-0078503-B1 THERMOSETTING RESIN COMPOSITION AND PREPOLYMER THEREOF Hitachi, Ltd. (JP) 1986-02-26 EP disclosed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 US disclosed
EP-0078503-A1 Thermosetting resin composition and prepolymer thereof Hitachi, Ltd. (JP) 1983-05-11 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 (5 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-20240244952-A1 ORGANIC LIGHT-EMITTING DEVICE AND ORGANOMETALLIC COMPOUND LEF1, OCIAD1, OXA1L TTR 3087/4885ALB 3076/4885CYP2A6 1399/4885
US-12048238-B2 Organometallic compound and organic light-emitting device including the same TRPC1, PPOX, LAGE3 TTR 3131/4885ALB 3849/4885CYP2A6 4557/4885
US-20240244950-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME EML4, DNMT3L, LIN28A TTR 3281/4885ALB 1673/4885CYP2A6 2799/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG TTR 4432/4885ALB 4289/4885CYP2A6 1979/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 TTR 3748/4885ALB 2799/4885CYP2A6 3970/4885

“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.