SCHEMBL6838752

SCHEMBL6838752

CCCCCCc1ccc2cc3c(c(F)c2c1F)CC(CCCCC)C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C8 P10632 2/20 0.33
S1PR3 Q99500 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CNR2 P34972 1/20 0.30
FYN P06241 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
SCHEMBL7060962 0.79 CYP3A4 (0.36) CYP3A4TYRMEN1TP53ALOX5
SCHEMBL7061221 0.72 CYP3A4 (0.39) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL9485467 0.69 TYR (0.39) CYP3A4TYRMEN1TP53ALOX5
SCHEMBL20044948 0.69 FYN (0.39) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL19793864 0.69 MAPT (0.45) MEN1MAPTALOX15HTTKMT2A
SCHEMBL19793865 0.69 MAPT (0.45) MEN1MAPTALOX15HTTKMT2A
SCHEMBL7062989 0.68 CYP3A4 (0.37) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL7062160 0.68 FYN (0.38) CYP3A4CYP2C8S1PR3CYP2D6CYP2C9
SCHEMBL10708748 0.68 MAPT (0.39) CYP3A4TYRMEN1TP53ALOX5
SCHEMBL10708740 0.68 MAPT (0.39) CYP3A4TYRMEN1TP53ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759103-B2 NEMATIC, CHOLESTERIC OR CHIRAL SMECTIC LIQUID-CRYSTAL MIXTURES HAVING HIGH ABSOLUTE DIELECTRIC ANISOTROPY VALUES AND WITH A FAVORABLE VISCOSITY/CLEARING POINT RELATIONSHIP; PHOTOSTABILITY; HEAT AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCI (BVI) LIMITED (VG) 2004-07-06 US disclosed
US-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance CLARIANT INTERNATIONAL LTD. 2003-05-15 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-20030091756-A1 Nematic, cholesteric or chiral smectic liquid-crystal mixtures having high absolute dielectric anisotropy values and with a favorable viscosity/clearing point relationship; photostability; heat and ultraviolet radiation resistance SCO2, CNOT1, HCFC1 CYP3A4 2449/4885TYR 2786/4885MEN1 1583/4885

“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.