SCHEMBL21325261

SCHEMBL21325261

COc1cc(C(C)(C)C)cc(CC(C)(C)c2ccc(F)c(OCCN3CCCC3)c2)c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ POLB P06746 1/20 0.40
▸ PSMB1 P20618 2/20 0.40
▸ PSMB5 P28074 2/20 0.40
▸ PSMB2 P49721 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
SCHEMBL20204603 0.82 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL21533988 0.79 EPHX2 (0.39) KDM4EPOLB
SCHEMBL22751234 0.75 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL270862 0.75 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL10202587 0.73 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL20347952 0.72 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2RECQLPOLB
SCHEMBL17996265 0.72 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2RECQLCYP1A2
SCHEMBL22548331 0.71 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL20351583 0.69 SCN9A (0.34) CYP1A2CYP2D6CYP2C19
SCHEMBL18374004 0.69 SMN1; SMN2 (0.67) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6

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-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 — — 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-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD KDM4E 1704/4885ALDH1A1 972/4885SMN1; SMN2 3230/4885

“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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