SCHEMBL128702

SCHEMBL128702

[CH2-][n+]1c(-c2cccc(-c3ccoc3)c2)cc2cc(CO)c(CO)cc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL130141 0.88 CHEK1 (0.33) CHEK1HSD17B1HSD17B2MEN1LMNA
SCHEMBL128852 0.78 TSHR (0.39) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL128006 0.72 APOBEC3A (0.38) MEN1KMT2AKDM4EALDH1A1
SCHEMBL13077112 0.70 ALDH1A1 (0.36) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL127674 0.66 HTT (0.41) MEN1KMT2AKDM4EALDH1A1
SCHEMBL15349962 0.66 FYN (0.54) HSD17B1HSD17B2LMNACYP1A2CYP3A4
SCHEMBL129980 0.65 TSHR (0.40) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL129070 0.64 CYP3A4 (0.53) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12864 0.61 ENPP3 (0.46) HSD17B1HSD17B2MEN1LMNACYP1A2
SCHEMBL16160786 0.60 BCL2 (0.47) MEN1LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CHEK1 4360/4885HSD17B1 3004/4885HSD17B2 3011/4885

“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.