SCHEMBL16169688

SCHEMBL16169688

CCCCOc1cc(OCCCN)cc(-c2ccc(F)c(-c3cc(-c4cc(OCCCN)cc(OCCCN)c4)ccc3F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ FFAR1 O14842 3/20 0.42
▸ FFAR4 Q5NUL3 3/20 0.42
▸ RARA P10276 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CSF3R Q99062 1/20 0.42
▸ CYP2D6 P10635 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 6/20 0.38
▸ CYP19A1 P11511 6/20 0.38
▸ CYP2C9 P11712 6/20 0.38
▸ CYP2C19 P33261 6/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL16172528 0.93 CSF3R (0.43) MCL1FFAR1FFAR4RARARARB
SCHEMBL16169683 0.84 PLA2G2A (0.43) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL16169670 0.83 CYP1A2 (0.38) MCL1RARARARBRAB9ANPC1
SCHEMBL16419743 0.82 CHRNB2 (0.43) RARARARBRAB9ANPC1KDM4E
SCHEMBL16169687 0.82 SMN1; SMN2 (0.48) CYP2D6CYP3A4SMN1; SMN2CYP1A2CYP19A1
SCHEMBL16419737 0.82 SMN1; SMN2 (0.48) CYP2D6CYP3A4SMN1; SMN2CYP1A2CYP19A1
SCHEMBL16169689 0.82 MCL1 (0.35) MCL1RARARARBRAB9ANPC1
SCHEMBL16419735 0.79 CYP2D6 (0.45) FFAR4RARARARBRAB9ANPC1
SCHEMBL18020389 0.79 PLA2G2A (0.47) RAB9AKDM4ECYP2D6CYP3A4CYP1A2
SCHEMBL16169690 0.79 CYP2D6 (0.42) RARARARBRAB9ANPC1KDM4E

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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 — — 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 MCL1 24/4885FFAR1 3905/4885FFAR4 4304/4885

“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.

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