Sugi Predict

Sugi Predict / Compounds / SCHEMBL19628161

SCHEMBL19628161

SCHEMBL19628161

c1ccc2cc(-c3ccc4c(c3)sc3c5cccc6c(-c7ccc8ccccc8c7)cc7cccc(c43)c7c65)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ S1PR4 O95977 6/20 0.34
▸ S1PR5 Q9H228 6/20 0.34
▸ LIMK1 P53667 3/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL19628158 0.96 LIMK1 (0.38) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL19628162 0.94 S1PR5 (0.36) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL19628151 0.94 CYP1A2 (0.39) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL19628167 0.94 GPR84 (0.35) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL19628164 0.93 CA12 (0.37) GSTP1ALOX5S1PR4S1PR5LIMK1
SCHEMBL19628153 0.92 ALOX5 (0.41) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL19628174 0.90 GPR84 (0.32) GSTP1GPR84S1PR4S1PR5LIMK1
SCHEMBL19628134 0.90 ALOX5 (0.36) GSTP1CYP1A2ERBB2FYNMAOA
SCHEMBL19628165 0.88 GPR84 (0.34) GSTP1GPR84S1PR4S1PR5LIMK1
SCHEMBL19628179 0.88 ALOX5 (0.38) GSTP1CYP1A2ERBB2FYNMAOA

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-10439144-B2 Organic compound for electronic device comprising fused-core structure, organic optoelectronic device comprising same, and display device UNIVERSITY-INDUSTRY COOPERATEON GROUP OF KYUNG HEE UNIVERSITY (KR) 2019-10-08 — — US disclosed
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2017-11-23 — — US disclosed
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2017-11-23 — — 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 (2 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-10439144-B2 Organic compound for electronic device comprising fused-core structure, organic optoelectronic device comprising same, and display device OR10J3, OCIAD2, OCIAD1 GSTP1 1392/4885CYP1A2 509/4885ERBB2 613/4885
US-20170338416-A1 ORGANIC COMPOUND FOR ELECTRONIC DEVICE COMPRISING FUSED-CORE STRUCTURE, ORGANIC OPTOELECTRONIC DEVICE COMPRISING SAME, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 GSTP1 1392/4885CYP1A2 509/4885ERBB2 613/4885

“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.