SCHEMBL17068561

SCHEMBL17068561

CCCC1CCC(CCC(=O)Oc2ccc(OCC)c(F)c2F)=CO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.35
AKR1C3 P42330 1/20 0.33
HPGD P15428 6/20 0.33
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACACB O00763 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL17068618 0.92 HPGD (0.35) TOP2AAKR1C3HPGDALDH1A1KDM4E
SCHEMBL17068566 0.82 L3MBTL1 (0.33) CYP1A2CYP2C19
SCHEMBL17068571 0.81
SCHEMBL17068430 0.81 KDM4E (0.32) ALDH1A1KDM4EFFAR4KMT2A
SCHEMBL17068508 0.81 ALDH1A1 (0.33) ALDH1A1KDM4ECYP1A2MAPTCYP2C9
SCHEMBL18006914 0.80 TOP2A (0.34) TOP2AAKR1C3HPGDALDH1A1KDM4E
SCHEMBL17068598 0.78 LTB4R (0.34) CYP1A2CYP2C19
SCHEMBL17068563 0.78
SCHEMBL17068570 0.77 SLC6A4 (0.33)
SCHEMBL17068611 0.76 HTR2A (0.34) ALDH1A1

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-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-09-10 US disclosed
US-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-09-10 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-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CNKSR1, DRG1 TOP2A 977/4885AKR1C3 1771/4885HPGD 3243/4885

“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.