SCHEMBL10049565

SCHEMBL10049565

COc1ccc2c(CO)cc3cc4c(cc3c2c1)OCO4

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ CTSL P07711 3/20 0.44
▸ CTSB P07858 3/20 0.44
▸ PDE5A O76074 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 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
SCHEMBL10049569 0.86 CTSL (0.44) CTSLCTSBPDE5ACASP3SENP7
SCHEMBL10017893 0.82 ALOX5 (0.50) ALOX5CTSLCTSBPDE5AALDH1A1
SCHEMBL3917098 0.81 ALDH1A1 (0.45) CTSLCTSBPDE1APDE1BPDE1C
SCHEMBL5007688 0.81 SLC2A1 (0.46) CTSLCTSBPDE5AALDH1A1KDM4E
SCHEMBL3990619 0.81 SLC2A1 (0.46) CTSLCTSBPDE5AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5006725 0.80 SLC2A1 (0.45) CTSLCTSBPDE5AALDH1A1KDM4E
SCHEMBL3917777 0.80 MCHR1 (0.44) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL5007542 0.79 CASP3 (0.50) CTSLCTSBCASP3SENP7ALDH1A1
Hydrochloric Acid SCHEMBL5007613 0.79 MCHR1 (0.43) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL3921382 0.79 EDNRA (0.50) CTSLCTSBALDH1A1KDM4EPOLB

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 ALOX5 1903/4885CTSL 2108/4885CTSB 2433/4885

“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.

Send feedback