SCHEMBL13890462

SCHEMBL13890462

CC(=O)OCC1OC(OCC(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)C(OC(C)=O)CC1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.40
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ SRD5A1 P18405 2/20 0.34
▸ SRD5A2 P31213 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL13875363 0.86 TSHR (0.49) LMNATSHRALDH1A1CYP2D6KMT2A
SCHEMBL12450820 0.77 CNR1 (0.39) CNR1LMNATSHRCTNNB1WNT3A
SCHEMBL24494362 0.71 LMNA (0.49) LMNATSHRCYP3A4ALDH1A1CYP2D6
SCHEMBL13890442 0.71 CYP3A4 (0.35) LMNACYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL7150597 0.69 CA2 (0.47) LMNATSHRCYP3A4ALDH1A1CYP2D6
SCHEMBL7902314 0.69 CA2 (0.47) LMNATSHRCYP3A4ALDH1A1CYP2D6
SCHEMBL8212776 0.69 CA2 (0.47) LMNATSHRCYP3A4ALDH1A1CYP2D6
SCHEMBL23350664 0.69 CA2 (0.47) LMNATSHRCYP3A4ALDH1A1CYP2D6
SCHEMBL7150774 0.69 CA2 (0.47) LMNATSHRCYP3A4ALDH1A1CYP2D6
SCHEMBL26500528 0.69 CA2 (0.47) LMNATSHRCYP3A4ALDH1A1CYP2D6

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-8513395-B2 Method for the synthesis of anthocyanins BIOSYNTH AS (NO) 2013-08-20 — — US disclosed
US-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2009-04-30 — — 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-20090111975-A1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS POR, SPR, G6PD CNR1 3919/4885LMNA 2745/4885TSHR 4373/4885

“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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