SCHEMBL1508318

SCHEMBL1508318

O[C@H]1COc2c(OC(F)(F)F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.39
P2RX7 Q99572 2/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ACHE P22303 3/20 0.34
BCHE P06276 2/20 0.34
TRPM8 Q7Z2W7 8/20 0.33

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
SCHEMBL3325673 0.85 TRPV1 (0.46) TRPV1P2RX7HTR2AHTR2CHTR2B
SCHEMBL3325669 0.85 TRPV1 (0.46) TRPV1P2RX7HTR2AHTR2CHTR2B
SCHEMBL15160099 0.79 KDM4E (0.36) TRPV1P2RX7HTR2AHTR2CHTR2B
SCHEMBL1154206 0.79 POLL (0.45) ACHEBCHE
SCHEMBL15158685 0.77 ACHE (0.36) TRPV1P2RX7HTR2AHTR2CHTR2B
SCHEMBL3322936 0.76 TRPM8 (0.39) TRPV1HTR2AHTR2CHTR2BTRPM8
SCHEMBL3322941 0.76 TRPM8 (0.39) TRPV1HTR2AHTR2CHTR2BTRPM8
SCHEMBL1508231 0.76 FFAR1 (0.41) TRPV1P2RX7HTR2CHTR2B
SCHEMBL1508366 0.76 FFAR1 (0.41) TRPV1P2RX7HTR2CHTR2B
SCHEMBL3322927 0.74 TRPM8 (0.38) TRPV1P2RX7HTR2AHTR2CHTR2B

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
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 TRPV1 1400/4885P2RX7 3619/4885HTR2A 4025/4885

“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.