SCHEMBL14850371

SCHEMBL14850371

CCCCOc1ccc(C(F)(F)F)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.50
▸ PPARD Q03181 4/20 0.44
▸ PPARA Q07869 4/20 0.44
▸ PPARG P37231 4/20 0.44
▸ THRA P10827 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 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
SCHEMBL15473186 0.90 PTGDR2 (0.52) PTGDR2PPARDPPARAPPARGTHRA
SCHEMBL4856058 0.89 KDM4E (0.47) THRATHRBMAPTLMNAESR1
SCHEMBL17354126 0.88 PTGDR2 (0.47) PTGDR2PPARDPPARAPPARGMAPT
SCHEMBL14850081 0.86 HTT (0.41) PTGDR2PPARDPPARAMAPTLMNA
SCHEMBL12668284 0.85 CYP1A2 (0.52) PTGDR2MAPTLMNAL3MBTL1ATM
SCHEMBL7456145 0.83 THRA (0.54) THRATHRBMAPTLMNAESR1
SCHEMBL16559753 0.82 KDM4E (0.60) THRATHRBESR1ALDH1A1MAPK1
SCHEMBL11916137 0.81 THRA (0.46) PPARDPPARAPPARGTHRATHRB
SCHEMBL986849 0.80 KDM4E (0.49) PTGDR2PPARGTHRATHRBMAPT
SCHEMBL14850370 0.80 PPARA (0.44) PPARDPPARAPPARGTHRATHRB

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-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT PTGDR2 3444/4885PPARD 1550/4885PPARA 923/4885

“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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