SCHEMBL21473857

SCHEMBL21473857

c1ccc2c(c1)oc1c(N(c3c(C4CCCCC4)ccc4ccc(C5CCCCC5)cc34)c3ccc4ccc5c(N(c6c(C7CCCCC7)ccc7ccc(C8CCCCC8)cc67)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cccc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL21473856 0.99 CYP1B1 (0.33) CYP1B1
SCHEMBL4088954 0.84 KMT2A (0.35) CYP1B1MEN1KMT2A
SCHEMBL16216715 0.83 CYP1B1 (0.34) CYP1B1
SCHEMBL4083797 0.83 KMT2A (0.34) CYP1B1MEN1KMT2A
SCHEMBL14133877 0.83 KMT2A (0.35) CYP1B1MEN1KMT2ATBK1
SCHEMBL16216712 0.82 CYP1B1 (0.32) CYP1B1
SCHEMBL23919457 0.81 CYP2C19 (0.31) CYP1B1MEN1KMT2A
SCHEMBL23919455 0.79 CYP1B1 (0.32) CYP1B1
SCHEMBL18101629 0.79 CYP1B1 (0.39) CYP1B1MEN1KMT2A
SCHEMBL23919453 0.79 CYP1B1 (0.33) CYP1B1

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-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-11-29 US disclosed
US-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 CYP1B1 326/4885MEN1 1863/4885KMT2A 2000/4885
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof SLC7A1, WEE1, SLC7A5 CYP1B1 326/4885MEN1 1863/4885KMT2A 2000/4885

“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.