SCHEMBL14094861

SCHEMBL14094861

C=C(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C)c2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ SERPINE1 P05121 3/20 0.34
▸ NAT1 P18440 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12727727 0.87 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL87403 0.82 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL79111 0.82 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL91400 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL12727762 0.80 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL14094862 0.79 TUBB4A (0.34) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL12727724 0.79 TUBB4A (0.37) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL91374 0.76 MEN1 (0.36) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL12727719 0.74 POLB (0.35) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL12727822 0.74 TUBB4A (0.32) CYP1A2CYP2C9CYP2C19RAF1CDK1

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-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 — — 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-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS CYP1A2 1594/4885CYP2C9 3869/4885CYP2C19 2655/4885

“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.

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