SCHEMBL19936968

SCHEMBL19936968

c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6ccccc6c5)cc(-c5ccnc6c5sc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ LIMK1 P53667 4/20 0.36
▸ HTR2B P41595 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MAOB P27338 2/20 0.33

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
SCHEMBL19937279 0.98 CYP1A1 (0.38) CYP1A1CYP1B1LIMK1HTR2BHTR5A
SCHEMBL21263341 0.96 CYP1A1 (0.37) CYP1A1CYP1B1LIMK1HTR2BHTR5A
SCHEMBL21263479 0.96 CYP1A1 (0.39) CYP1A1CYP1B1LIMK1HTR2BHTR5A
SCHEMBL19936947 0.96 CYP1A1 (0.38) CYP1A1CYP1B1LIMK1HTR2BHTR5A
SCHEMBL19937164 0.94 HSD17B10 (0.38) CYP1A1CYP1B1LIMK1KDM4EMEN1
SCHEMBL21263357 0.94 CYP1A1 (0.38) CYP1A1CYP1B1LIMK1HTR2BHTR5A
SCHEMBL19937278 0.94 CYP1A1 (0.41) CYP1A1CYP1B1LIMK1KDM4EMEN1
SCHEMBL21263330 0.93 CYP1A1 (0.39) CYP1A1CYP1B1LIMK1KDM4EMEN1
SCHEMBL21263342 0.92 LIMK1 (0.38) LIMK1HTR2BHTR5AKDM4EMEN1
SCHEMBL19937163 0.92 TSHR (0.37) CYP1A1CYP1B1LIMK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2019-08-15 — — US disclosed
WO-2018043761-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO.,LTD. (JP) 2018-03-08 — — 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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES CDY1; CDY1B, CDYL, CBX8 CYP1A1 824/4885CYP1B1 412/4885LIMK1 3482/4885

“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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