SCHEMBL7809444

SCHEMBL7809444

CCCC[Sn](CCCC)(CCCC)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.60
CYP2D6 P10635 6/20 0.60
CYP2C9 P11712 5/20 0.60
CYP1A2 P05177 4/20 0.60
CYP2C19 P33261 4/20 0.60
CYP19A1 P11511 1/20 0.60
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
NOTUM Q6P988 1/20 0.47
BAZ2B Q9UIF8 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TBXAS1 P24557 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL28108298 0.76 CYP3A4 (0.65) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL14129854 0.75 CYP2D6 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL960415 0.75 CYP3A4 (0.62) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
Dodecane SCHEMBL27685946 0.74 CYP3A4 (0.72) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2532397 0.74 LMNA (0.78) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL1983658 0.74 TSHR (0.32) CYP2D6CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL658276 0.73 CYP2D6 (0.41) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL12310548 0.72 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL28701756 0.72 LMNA (0.75) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL255498 0.72 MAOB (0.62) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010003780-A1 Retinoid antagonists and uses thereof TRAMPOSCH KENNETH M (US) 2001-06-14 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-20010003780-A1 Retinoid antagonists and uses thereof RARA, RARB, RARG CYP3A4 3104/4885CYP2D6 2604/4885CYP2C9 3294/4885

“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.