SCHEMBL12197194

SCHEMBL12197194

CCCc1ccc(C2CCC(OC(=O)C3CC=C(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ PDE5A O76074 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CDK9 P50750 5/20 0.33
▸ CCNT1 O60563 4/20 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
SCHEMBL14922604 0.93 CDK9 (0.37) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL12197325 0.93 CTSL (0.34) CTSLCTSSCTSKPDE5AHDAC1
SCHEMBL14922668 0.91 CDK9 (0.34) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL12197344 0.91 CDK9 (0.31) CTSLCTSSCTSKCDK9CCNT1
SCHEMBL12197470 0.90 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL12197442 0.90 CTSL (0.33) CTSLCTSSCTSK
SCHEMBL14922622 0.90 CDK9 (0.34) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL12197328 0.89 CDK9 (0.38) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL12197196 0.89 CDK9 (0.38) PDE5AHDAC1HDAC6CDK9CCNT1
SCHEMBL12197218 0.89 CTSL (0.41) CTSLCTSSCTSKPDE5AHDAC1

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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