SCHEMBL6157559

SCHEMBL6157559

CCCC1CCc2cc(O)c(F)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.60
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR3 Q99500 1/20 0.36
DRD5 P21918 3/20 0.36

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
SCHEMBL6160060 0.77 FYN (0.40) FYNCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL15412818 0.77 FYN (0.52) FYNDRD2MAPTALDH1A1CYP3A4
SCHEMBL6731314 0.75 FYN (0.41) FYNCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL6156864 0.75 CYP19A1 (0.57) FYNDRD2MAPTCYP2D6
SCHEMBL6741150 0.74 FYN (0.40) FYNCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL6738851 0.74 FYN (0.40) FYNCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL14526478 0.73 FYN (0.36) FYNCYP3A4CYP2C8S1PR3
SCHEMBL14526578 0.73 FYN (0.40) FYNCYP2C9
SCHEMBL14526556 0.73 FYN (0.40) FYNCYP2C9
SCHEMBL6157914 0.72 HTR1D (0.40) FYNCYP3A4CYP2C8CYP2D6CYP2C9

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-20050131244-A1 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-06-16 US disclosed
EP-1191008-B1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2005-02-09 EP disclosed
US-6746728-B1 SUPERIOR LIQUID CRYSTALLINITY AND CO-SOLUBILITY WITH CURRENTLY USED LIQUID CRYSTAL COMPOUNDS; TEMPERATURE RANGE OVER WHICH LIQUID CRYSTALLINITY IS SHOWN IS BROAD; THRESHOLD VOLTAGE IS LOW; CAPABLE OF HIGH SPEED RESPONSE DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-08 US disclosed
EP-1191008-A1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-03-27 EP 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-20050131244-A1 PROCESS FOR MANUFACTURE OF PENTAERYTHRITOL DIPHOSPHITES GNPAT, DCTPP1, DERA FYN 2600/4885DRD2 2306/4885DRD1 2327/4885

“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.