SCHEMBL14769851

SCHEMBL14769851

CC(C)C(=O)/C=C/c1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
EGFR P00533 1/20 0.42
HDAC4 P56524 3/20 0.42
MEF2D Q14814 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL853485 0.82 NPSR1 (0.61) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL853486 0.82 NPSR1 (0.61) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL15026335 0.79 NPSR1 (0.49) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL14924014 0.79 TRPV1 (0.47) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL16621540 0.78 ALDH1A1 (0.38) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3295979 0.78 TTR (0.54) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3295973 0.78 TTR (0.54) TRPV1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL6296644 0.78 NFE2L2 (0.55) ALDH1A1KDM4ESMN1; SMN2NPSR1MMP1
SCHEMBL18900602 0.78 NPSR1 (0.65) NPSR1CYP1A2CYP2C9HSD17B3
SCHEMBL6296643 0.78 NFE2L2 (0.55) ALDH1A1KDM4ESMN1; SMN2NPSR1MMP1

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-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 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-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 TRPV1 4702/4885ALDH1A1 1469/4885KDM4E 2299/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 TRPV1 4702/4885ALDH1A1 1469/4885KDM4E 2299/4885

“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.