SCHEMBL8935954

SCHEMBL8935954

CCCC1CC=C(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
KDM1A O60341 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL8936077 0.93 ESR2 (0.36) ESR2
SCHEMBL8937223 0.92 ESR2 (0.34) ESR2KDM1A
SCHEMBL8936268 0.92 ESR2 (0.35) ESR2
SCHEMBL8938675 0.90 ESR2 (0.39) ESR2
SCHEMBL8963565 0.89 MMP2 (0.32) ESR2MMP2MMP3
SCHEMBL8935914 0.88 ESR2 (0.37) ESR2MMP2MMP3
SCHEMBL8936985 0.87 ESR2 (0.35) ESR2
SCHEMBL8936039 0.87 ESR2 (0.36) ESR2MMP2MMP3
SCHEMBL8936822 0.86 ESR2 (0.34) ESR2
SCHEMBL10691603 0.86 MMP2 (0.43) ESR2MMP2MMP3AKR1C4AKR1C3

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 ESR2 2689/4885MMP2 3457/4885MMP3 1507/4885

“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.