SCHEMBL21725429

SCHEMBL21725429

c1ccc(-c2cc(-c3ccc(-c4ccc(-c5[nH]cc6ccccc56)cc4)cc3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 6/20 0.38
MAPT P10636 5/20 0.38
NTSR1 P30989 1/20 0.38
NT5E P21589 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 1/20 0.36
GRM5 P41594 1/20 0.36
ALOX5 P09917 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL19650587 0.95 CYP11B1 (0.38) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL19650532 0.90 MEN1 (0.42) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL21725394 0.85 CYP1A1 (0.41) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL21725431 0.84 CYP1A1 (0.40) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL21725391 0.83 CYP1A1 (0.52) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL23095149 0.82 ALDH1A1 (0.44) CYP1A1CYP1B1MEN1KMT2AALDH1A1
SCHEMBL21725430 0.82 HTR2C (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21725409 0.81 ALDH1A1 (0.40) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL10051309 0.80 CYP11B1 (0.45) CYP11B1CYP1A1CYP1B1MEN1KMT2A
SCHEMBL19650638 0.79 ADORA2A (0.39) CYP11B1CYP1A1CYP1B1MEN1KMT2A

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-10950797-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2021-03-16 US disclosed
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices HODOGAYA CHEMICAL CO., LTD. (JP) 2020-02-18 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-10566543-B2 Pyrimidine derivative and organic electroluminescent devices TYMS, TYMP, DPYD CYP11B1 2481/4885CYP1A1 2367/4885CYP1B1 719/4885
US-10950797-B2 Organic electroluminescent device SLC29A2, SLC29A1, NUDT1 CYP11B1 1493/4885CYP1A1 719/4885CYP1B1 988/4885

“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.