SCHEMBL12197218

SCHEMBL12197218

CCCc1ccc(C2CCC(OC(=O)C3CCC(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12197346 1.00 CTSL (0.41) CTSLCTSSCTSKSMN1; SMN2HPGD
SCHEMBL12197462 0.93 SMN1; SMN2 (0.35) CTSLCTSSCTSKSMN1; SMN2HPGD
SCHEMBL12197475 0.93 SMN1; SMN2 (0.35) CTSLCTSSCTSKSMN1; SMN2HPGD
SCHEMBL14922583 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTTDP1GLA
SCHEMBL14922599 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTTDP1GLA
SCHEMBL11933369 0.91 CTSL (0.40) CTSLCTSSCTSKSMN1; SMN2HPGD
SCHEMBL11933227 0.91 CTSL (0.40) CTSLCTSSCTSKSMN1; SMN2HPGD
SCHEMBL12197325 0.90 CTSL (0.34) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL12197350 0.89 CTSL (0.34) CTSLCTSSCTSKSMN1; SMN2HPGD
SCHEMBL14922591 0.89 SMN1; SMN2 (0.36) SMN1; SMN2HPGDFFAR4MAPTALDH1A1

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
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 CTSL 3768/4885CTSS 2260/4885CTSK 1982/4885

“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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