SCHEMBL3670657

SCHEMBL3670657

O=C1CCCC(Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
LMNA P02545 1/20 0.49
MALT1 Q9UDY8 2/20 0.47
ALDH1A1 P00352 1/20 0.46
IDH2 P48735 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CTSC P53634 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 1/20 0.42
TEAD1 P28347 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
TEAD3 Q99594 1/20 0.41

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
SCHEMBL12076535 0.81 EPHX2 (0.63) EPHX2LMNAMALT1IDH2SMN1; SMN2
SCHEMBL1420520 0.79 MALT1 (0.66) EPHX2LMNAMALT1ALDH1A1IDH2
Hydrochloric Acid SCHEMBL1669945 0.78 MALT1 (0.64) EPHX2LMNAMALT1ALDH1A1IDH2
SCHEMBL3668555 0.78 DDB1 (0.42) EPHX2LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL22083903 0.76 KIF11 (0.41) EPHX2LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL24781076 0.74 EPHX2 (0.55) EPHX2LMNAMALT1IDH2SMN1; SMN2
SCHEMBL21958912 0.74 LMNA (0.50) EPHX2LMNAMALT1IDH2SMN1; SMN2
SCHEMBL21958961 0.74 LMNA (0.50) EPHX2LMNAMALT1IDH2SMN1; SMN2
SCHEMBL21958749 0.74 IDH2 (0.74) EPHX2LMNAMALT1IDH2SMN1; SMN2
SCHEMBL9310544 0.74 IDH2 (0.74) EPHX2LMNAMALT1IDH2SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 EPHX2 311/4885LMNA 1156/4885MALT1 46/4885

“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.