SCHEMBL16093039

SCHEMBL16093039

O=C(/C=C/c1ccccc1)/C=C/c1cccnc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.89
RAB9A P51151 3/20 0.89
KDM4E B2RXH2 2/20 0.89
NPC1 O15118 2/20 0.89
JUN P05412 2/20 0.89
NFKB1 P19838 2/20 0.89
MAPK1 P28482 1/20 0.89
GPR55 Q9Y2T6 1/20 0.89
CYP11B1 P15538 1/20 0.69
CYP11B2 P19099 1/20 0.69
CYP1A2 P05177 8/20 0.68
CYP2D6 P10635 5/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP2C9 P11712 2/20 0.68
PLIN1 O60240 1/20 0.68
LMNA P02545 1/20 0.68
F3 P13726 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL5598852 0.94 MAPT (1.00) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL5598850 0.94 MAPT (1.00) MAPTRAB9AKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971085 0.93 MAPT (0.96) MAPTRAB9AKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971079 0.93 MAPT (0.96) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL28356916 0.88 MAPT (0.81) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL334615 0.85 RAB9A (0.76) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL755249 0.85 RAB9A (0.76) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL334614 0.85 RAB9A (0.76) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL29416684 0.85 RAB9A (0.76) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL28431765 0.85 ALDH1A1 (0.76) MAPTRAB9AKDM4ENPC1JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925153-B2 Therapeutic agents for skin diseases and conditions STC.UNM (US) 2018-03-27 US disclosed
US-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS STC.UNM 2016-10-06 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 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-20160287531-A1 THERAPEUTIC AGENTS FOR SKIN DISEASES AND CONDITIONS CUTA, TSLP, ELANE MAPT 790/4885RAB9A 3557/4885KDM4E 3199/4885

“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.