SCHEMBL3530263

SCHEMBL3530263

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)c4nn(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)nc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ F2R P25116 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ NR5A2 O00482 1/20 0.31
▸ NR5A1 Q13285 1/20 0.31

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
SCHEMBL19153104 0.86 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19152594 0.79 CNR1 (0.37) CYP2C9CYP2C19F2RPDK2
SCHEMBL25444744 0.76 PDK2 (0.36) PDK2
SCHEMBL25444689 0.76 PDK2 (0.36) PDK2
SCHEMBL3532986 0.76 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19153026 0.76 CNR1 (0.40) PDK2
SCHEMBL19153246 0.75 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19153489 0.72 CNR1 (0.41) PDK2
SCHEMBL1994589 0.72 PDK2 (0.41) PDK2
SCHEMBL25444635 0.72 PDK2 (0.37) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 — — US disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 — — US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 — — WO 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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 CYP1A2 4297/4885CYP3A4 1527/4885CYP2C9 3634/4885

“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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