SCHEMBL12301086

SCHEMBL12301086

CCC1(CC)Cc2ccc(C)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ F2 P00734 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ TRPV2 Q9Y5S1 1/20 0.31
▸ RAD52 P43351 1/20 0.31

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
SCHEMBL14666732 0.77 HTR2C (0.50) KDM4EHTTALDH1A1ATMHTR2C
SCHEMBL9679204 0.77 ALDH1A1 (0.41) KDM4EALDH1A1GAATSHRMEN1
SCHEMBL12180466 0.76 KDM4E (0.38) KDM4EHTTALDH1A1F2GAA
SCHEMBL12301085 0.74 KDM4E (0.36) KDM4EHTTALDH1A1F2GAA
SCHEMBL7466569 0.73 KDM4E (0.60) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL17193802 0.73 KDM4E (0.34) KDM4EHTTALDH1A1F2GAA
SCHEMBL12233255 0.73 KDM4E (0.35) KDM4EHTTALDH1A1F2GAA
SCHEMBL19954246 0.71 AKT1 (0.35) KDM4EHTTALDH1A1F2GAA
SCHEMBL12301083 0.70 KDM4E (0.46) KDM4EHTTALDH1A1SMN1; SMN2ATM
SCHEMBL6130742 0.70 AKT1 (0.42) KDM4EALDH1A1GAAALOX12CYP2D6

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-8017635-B2 Phenylalkyl substituted heteroaryl derivatives FMC CORPORATION (US) 2011-09-13 — — US disclosed
US-8017635-B2 Phenylalkyl substituted heteroaryl derivatives FMC CORPORATION (US) 2011-09-13 — — US disclosed
US-20100152045-A1 Phenylalkyl Substituted Heteroaryl Derivatives FMC CORPORATION 2010-06-17 — — US disclosed
US-20100152045-A1 Phenylalkyl Substituted Heteroaryl Derivatives FMC CORPORATION 2010-06-17 — — 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-20100152045-A1 Phenylalkyl Substituted Heteroaryl Derivatives DDT, CRYAA, CYP19A1 KDM4E 1083/4885HTT 2985/4885ALDH1A1 830/4885

“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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