SCHEMBL18016332

SCHEMBL18016332

CC(C)(C)C1=CC(=Cc2ccccc2)C=C(C(C)(C)C)C1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ NFKB1 P19838 2/20 0.31
▸ NFKB2 Q00653 2/20 0.31
▸ RELA Q04206 2/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CCNB1 P14635 1/20 0.30

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
SCHEMBL28281587 0.70 CYP1A2 (0.34) CYP2C19CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL86407 0.69 ATM (0.56) CYP2C19NFKB1NFKB2RELAALDH1A1
Hno SCHEMBL6475533 0.67 ATM (0.54) CYP2C19NFKB1NFKB2RELAALDH1A1
SCHEMBL28410604 0.65 CYP1A2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL29088602 0.65 KMT2A (0.39) ALDH1A1HPGDCYP1A2
SCHEMBL28706739 0.65 CYP2A6 (0.38) CYP2C19NFKB1NFKB2RELAKDM4E
Benzoquinone SCHEMBL28737726 0.65 ATM (0.51) CYP2C19NFKB1NFKB2RELAALDH1A1
Benzoquinone SCHEMBL23209758 0.64 KMT2A (0.50) CYP2C19NFKB1NFKB2RELAALDH1A1
SCHEMBL28957399 0.64 HSD17B10 (0.37) CYP2C19NFKB1NFKB2RELAKDM4E
SCHEMBL7587340 0.62 NFKB1 (0.42) CYP2C19NFKB1NFKB2RELAKDM4E

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-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 — — US disclosed
US-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2016-08-18 — — 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-20160237346-A1 PROCESS AND COMPOSITION FOR INHIBITING THE POLYMERIZATION OF CYCLOPENTADIENE COMPOUNDS CYC1, SQOR, UQCRB GUSB 3347/4885CYP2C19 504/4885NFKB1 728/4885

“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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