Sugi Predict

Sugi Predict / Compounds / SCHEMBL9925446

SCHEMBL9925446

SCHEMBL9925446

Cc1cc(C)cc(N(C)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.42
▸ LMNA P02545 2/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TYR P14679 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PYCR1 P32322 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL19618141 0.85 CHRNA7 (0.48) DHFRLMNAS1PR1CHRNA7ALDH1A1
SCHEMBL5431004 0.85 DHFR (0.46) DHFRLMNAS1PR1ALDH1A1TYR
SCHEMBL20209983 0.82 LMNA (0.39) DHFRLMNAS1PR1PTGS1TRPA1
SCHEMBL13367375 0.81 ALDH1A1 (0.52) DHFRCHRNA7ALDH1A1TSHRALOX15
SCHEMBL20210157 0.78 S1PR1 (0.45) DHFRLMNAS1PR1PTGS1TRPA1
Hydrochloric Acid SCHEMBL28876108 0.78 CHKA (0.46) LMNAALDH1A1TSHRALOX15
SCHEMBL13509012 0.78 TSHR (0.42) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL13333786 0.77 ALDH1A1 (0.45) DHFRLMNAS1PR1ALDH1A1TYR
P-Cymene SCHEMBL8393048 0.75 ACHE (0.48) LMNAPTGS1TRPA1CACNA1CCHRNA7
SCHEMBL18932613 0.75 RXRA (0.44) DHFRALDH1A1TSHRSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 — — US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 — — US disclosed
US-20150162536-A1 ELECTROACTIVE MATERIALS DU PONT (US) 2015-06-11 — — US disclosed
US-8992800-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-31 — — US disclosed
US-8563972-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-22 — — US disclosed
US-20130248835-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-20130248838-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 — — US disclosed
US-8471251-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 — — US disclosed
US-20120146013-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-06-14 — — US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 — — US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 — — US disclosed
US-8067764-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-29 — — US disclosed
US-20110101310-A1 ELECTROACTIVE MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY 2011-05-05 — — US disclosed
US-20110095270-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 — — US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 — — US disclosed
US-20110049478-A1 ELECTROACTIVE MATERIALS E.I.DU PONT DE NEMOURS AND COMPANY 2011-03-03 — — US disclosed
US-20110042652-A1 ELECTROACTIVE MATERIALS E.I.DU PONT DE NEMOURS AND COMPANY 2011-02-24 — — US disclosed
US-20090159877-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-25 — — 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 (10 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-20150162536-A1 ELECTROACTIVE MATERIALS KCNN4, SCO2, SYNGR2 DHFR 3839/4885LMNA 4298/4885S1PR1 1545/4885
US-20110049477-A1 ELECTROACTIVE MATERIALS KCNN4, KCNN3, HCN3 DHFR 3920/4885LMNA 3286/4885S1PR1 830/4885
US-20110049478-A1 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 DHFR 3484/4885LMNA 3876/4885S1PR1 1575/4885
US-20170338423-A9 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 DHFR 3484/4885LMNA 3876/4885S1PR1 1575/4885
US-20110101310-A1 ELECTROACTIVE MATERIALS KCNN4, SCO2, SYNGR2 DHFR 3839/4885LMNA 4298/4885S1PR1 1545/4885
US-20120146013-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 DHFR 3625/4885LMNA 4035/4885S1PR1 1208/4885
US-20120074396-A1 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 DHFR 3484/4885LMNA 3876/4885S1PR1 1575/4885
US-20090159877-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 DHFR 3625/4885LMNA 4035/4885S1PR1 1208/4885
US-20110095270-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 DHFR 3625/4885LMNA 4035/4885S1PR1 1208/4885
US-20110042652-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 DHFR 3625/4885LMNA 4035/4885S1PR1 1208/4885

“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.