SCHEMBL5114438

SCHEMBL5114438

Cc1cccc(-c2cc(C)ccc2C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
ENPP1 P22413 1/20 0.46
HSD11B1 P28845 2/20 0.43
PTPN5 P54829 1/20 0.41
PDK2 Q15119 1/20 0.41
MAOB P27338 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ACHE P22303 2/20 0.39
SDHB P21912 1/20 0.39
SCN9A Q15858 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
RPS6KA3 P51812 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL26375407 0.88 NFE2L2 (0.45) ARPTPN5SCN9ACYP3A4CYP2D6
SCHEMBL23149011 0.87 HSD11B1 (0.46) ARHSD11B1PDK2MAOBCYP3A4
SCHEMBL29616670 0.87 HSD11B1 (0.46) ARHSD11B1PDK2MAOBCYP3A4
SCHEMBL5540262 0.85 SCN9A (0.53) ARENPP1HSD11B1PTPN5PDK2
SCHEMBL20022145 0.82 SCN9A (0.54) ARENPP1HSD11B1PTPN5PDK2
SCHEMBL20022130 0.82 SCN9A (0.54) ARENPP1HSD11B1PTPN5PDK2
SCHEMBL29890197 0.81 AR (0.48) ARENPP1HSD11B1PTPN5PDK2
SCHEMBL28838154 0.81 AR (0.48) ARENPP1HSD11B1PTPN5PDK2
SCHEMBL26375405 0.78 KIF11 (0.42) ARHSD11B1
SCHEMBL16727176 0.77 AR (0.48) ARENPP1HSD11B1PTPN5PDK2

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
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP claimed
US-7462722-B2 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-12-09 US disclosed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP disclosed
EP-1650207-A1 Process for producing optically active 3-quinuclidinols Takasago International Corporation (JP) 2006-04-26 EP disclosed
US-20060047122-A1 Process for producing optically active-3-quinuclidinols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 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-20060047122-A1 Process for producing optically active-3-quinuclidinols DHPS, QDPR, TYR AR 4405/4885ENPP1 1240/4885HSD11B1 2765/4885

“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.