SCHEMBL14917403

SCHEMBL14917403

CC=NCc1ccccc1O.Cl[Mn]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.43
TSHR P16473 3/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA12 O43570 5/20 0.37
CA2 P00918 5/20 0.37
IDO1 P14902 2/20 0.37
CA9 Q16790 3/20 0.36
MPO P05164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KEAP1 Q14145 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14917402 1.00 HSPA5 (0.43) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL14917394 0.94 HSPA5 (0.48) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL14917396 0.94 HSPA5 (0.48) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL14916883 0.93 HSPA5 (0.43) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL6594440 0.76 HSPA5 (0.54) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL31110321 0.72 CA12 (0.66) HSPA5CA12CA2CA9KDM4E
SCHEMBL27341308 0.72 CA12 (0.66) HSPA5CA12CA2CA9KDM4E
SCHEMBL18651816 0.72 CA12 (0.66) HSPA5CA12CA2CA9KDM4E
SCHEMBL6413423 0.72 SMN1; SMN2 (0.49) HSPA5TSHRCYP2D6HIF1ATAAR1
SCHEMBL6413419 0.72 SMN1; SMN2 (0.49) HSPA5TSHRCYP2D6HIF1ATAAR1

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-9061982-B2 Process for the preparation of oxovinylionol and its O-protected derivatives BASF SE (DE) 2015-06-23 US disclosed
US-20130116473-A1 PROCESS FOR THE PREPARATION OF OXOVINYLIONOL AND ITS O-PROTECTED DERIVATIVES BASF SE (DE) 2013-05-09 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-20130116473-A1 PROCESS FOR THE PREPARATION OF OXOVINYLIONOL AND ITS O-PROTECTED DERIVATIVES HAO2, VAT1, SOD3 HSPA5 2386/4885TSHR 1640/4885CYP2D6 729/4885

“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.