SCHEMBL19969858

SCHEMBL19969858

CCC(C)(CC)Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
HTR2A P28223 3/20 0.51
ABCB11 O95342 2/20 0.51
TSHR P16473 2/20 0.51
PMP22 Q01453 2/20 0.51
MAPT P10636 4/20 0.50
CYP2C19 P33261 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2D6 P10635 2/20 0.50
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 5/20 0.45
PPARG P37231 3/20 0.44
FABP2 P12104 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CNR1 P21554 4/20 0.41
LMNA P02545 3/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL24063950 0.89 NQO1 (0.39) PPARACYP1A2CYP3A4HTR2AABCB11
SCHEMBL17861674 0.83 PPARA (0.49) PPARACYP1A2CYP3A4HTR2AABCB11
SCHEMBL1040481 0.83 PPARA (0.51) PPARACYP1A2CYP3A4HTR2AABCB11
SCHEMBL11336961 0.81 OPRK1 (0.57) PPARACYP1A2CYP3A4HTR2AABCB11
SCHEMBL13418269 0.80 ACHE (0.42) PPARACYP1A2CYP3A4HTR2AABCB11
SCHEMBL12942965 0.78 KDM4E (0.33) PPARACYP1A2CYP3A4HTR2AABCB11
SCHEMBL3081094 0.77 LTA4H (0.40) PPARACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL14706810 0.77 NPC1 (0.56) MAPTLMNACYP2C9MAPK1SMN1; SMN2
SCHEMBL15489213 0.77 ALDH1A3 (0.44) CYP1A2MAPTCYP2C19MEN1KMT2A
SCHEMBL196705 0.77 PPARA (0.57) PPARACYP1A2CYP3A4HTR2AABCB11

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-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 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-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 PPARA 506/4885CYP1A2 2067/4885CYP3A4 2626/4885

“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.