SCHEMBL10344950

SCHEMBL10344950

CC(=O)/C(C)=C\CNc1ncnc2nc[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.76
▸ CDK2 P24941 2/20 0.76
▸ TSHR P16473 3/20 0.70
▸ RECQL P46063 1/20 0.70
▸ TP53 P04637 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ HTT P42858 3/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HIF1A Q16665 1/20 0.53
▸ BRAF P15056 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL10344764 0.91 CYP1A2 (0.74) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL459276 0.86 CYP1A2 (1.00) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL29371127 0.86 CYP1A2 (1.00) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL10345015 0.84 CYP1A2 (0.80) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL30320042 0.83 CYP1A2 (0.87) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL25176316 0.83 TSHR (1.00) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL29412055 0.83 TSHR (1.00) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL49690 0.83 TSHR (1.00) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL29350488 0.83 TSHR (1.00) CYP1A2CDK2TSHRRECQLTP53
SCHEMBL1944933 0.83 TSHR (1.00) CYP1A2CDK2TSHRRECQLTP53

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-20200383331-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE BOOSHOOT LLC (US) 2020-12-10 — — US disclosed
WO-2013016198-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR MICROPROPAGATION OF PLANTS BOOSHOOT LLC (US) 2013-01-31 — — WO disclosed
US-20120180964-A1 COMPOSITIONS AND METHODS FOR BAMBOO PULPING The Red Triangle, LLC (US) 2012-07-19 — — US disclosed
WO-2012097380-A1 COMPOSITIONS AND METHODS FOR BAMBOO PULPING The Red Triangle, LLC (US) 2012-07-19 — — WO 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-20200383331-A1 COMPOSITIONS AND METHODS FOR LARGE-SCALE IN VITRO PLANT BIOCULTURE MYB, MYCBP, PIM1 CYP1A2 687/4885CDK2 292/4885TSHR 4358/4885

“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