SCHEMBL460353

SCHEMBL460353

C=CC[n+]1cc2ccccc2c2ccc3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ HPRT1 P00492 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 2/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL3798662 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDLMNAALPG
SCHEMBL9184870 0.72 KDM4E (0.47) KDM4EHPRT1ALDH1A1HSD17B10CYP2A6
Hydrochloric Acid SCHEMBL460640 0.71 KDM4E (0.42) KDM4EHPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL31614554 0.68 RAD52 (0.54) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL16736485 0.68 RAD52 (0.54) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Phenanthrene SCHEMBL2963532 0.65 ALDH1A1 (0.71) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Chrysene SCHEMBL18627967 0.65 HPRT1 (0.93) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Chrysene SCHEMBL1460501 0.65 HPRT1 (0.93) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Phenanthrene SCHEMBL6281749 0.65 CYP2A6 (0.92) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Phenanthrene SCHEMBL2087874 0.65 CYP2A6 (0.92) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 — — US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 — — 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 (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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH KDM4E 536/4885HPRT1 300/4885ALDH1A1 3095/4885

“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.

Send feedback