SCHEMBL10049566

SCHEMBL10049566

COC(=O)c1cc2cc3c(cc2c2cc(OC)ccc12)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ PLA2G2A P14555 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TP53 P04637 2/20 0.45

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
SCHEMBL3921382 0.89 EDNRA (0.50) KDM4EHSD17B10KMT2APOLBALDH1A1
SCHEMBL10017894 0.86 ALDH1A1 (0.46) L3MBTL1NPC1TDP1KDM4EHSD17B10
SCHEMBL12780374 0.80 PLA2G2A (0.53) L3MBTL1NPC1PLA2G2AKDM4EHSD17B10
SCHEMBL31510193 0.80 PLA2G2A (0.53) L3MBTL1NPC1PLA2G2AKDM4EHSD17B10
SCHEMBL5009832 0.79 EGLN2 (0.47) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL10049565 0.78 ALOX5 (0.47) L3MBTL1NPC1KDM4ECYP1A2POLB
SCHEMBL14235597 0.77 PLA2G2A (0.50) NPC1PLA2G2AKDM4EHSD17B10MEN1
SCHEMBL28655389 0.77 PLA2G2A (0.55) L3MBTL1PLA2G2AKDM4EHSD17B10MAPT
SCHEMBL28655385 0.76 PLA2G2A (0.49) PLA2G2AKDM4EHSD17B10MAPTMEN1
SCHEMBL5007542 0.76 CASP3 (0.50) NPC1TDP1KDM4EHSD17B10MAPT

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-20120029018-A1 9-SUBSTITUTED PHENANTHRENE BASED TYLOPHORINE DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-02 — — 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-20120029018-A1 9-SUBSTITUTED PHENANTHRENE BASED TYLOPHORINE DERIVATIVES ABCB1, TYMP, PAH L3MBTL1 2727/4885NPC1 297/4885TDP1 387/4885

“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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