SCHEMBL12821237

SCHEMBL12821237

COc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
CPS1 P31327 4/20 0.36
HPGD P15428 1/20 0.36
FFAR1 O14842 7/20 0.35
MTNR1B P49286 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL12823182 0.95 PTGDR2 (0.38) PTGDR2CPS1HPGDFFAR1MTNR1B
SCHEMBL12823292 0.91 HPGD (0.39) PTGDR2CPS1HPGDFFAR1MTNR1B
SCHEMBL12737232 0.89 FFAR1 (0.39) PTGDR2CPS1HPGDFFAR1MTNR1B
SCHEMBL12737246 0.89 FFAR1 (0.40) PTGDR2CPS1HPGDFFAR1MTNR1B
SCHEMBL12719436 0.88 HPGD (0.36) CPS1HPGDRAB9APOLBTDP1
SCHEMBL12718049 0.88 HPGD (0.36) PTGDR2CPS1HPGDFFAR1MTNR1B
SCHEMBL12823179 0.88 HPGD (0.40) HPGDRAB9AALDH1A1POLB
SCHEMBL12821970 0.88 HPGD (0.40) HPGDRAB9AALDH1A1POLB
SCHEMBL12719359 0.85 HPGD (0.39) PTGDR2CPS1HPGDFFAR1MTNR1B
SCHEMBL12823303 0.85 HPGD (0.40) PTGDR2CPS1HPGDFFAR1MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PTGDR2 1324/4885CPS1 4819/4885HPGD 4781/4885

“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.