SCHEMBL20561691

SCHEMBL20561691

CNc1ccccc1C(=O)OCCS

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.62
▸ POLB P06746 1/20 0.62
▸ ATM Q13315 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.50
▸ TSHR P16473 6/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL8541161 0.85 ALDH1A1 (0.71) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL4935058 0.84 KDM4E (0.62) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL6318035 0.83 KDM4E (0.70) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL11170707 0.82 ALDH1A1 (0.64) KDM4EPOLBALDH1A1TSHRTDP1
SCHEMBL619175 0.81 TSHR (0.69) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL7621707 0.81 TSHR (0.62) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL4858499 0.81 KDM4E (0.58) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL4904098 0.81 TSHR (0.73) KDM4EPOLBATMALDH1A1TSHR
SCHEMBL11690383 0.80 ALDH1A1 (0.74) KDM4EPOLBATMALDH1A1TSHR
Hydrochloric Acid SCHEMBL6379948 0.80 TSHR (0.67) KDM4EPOLBATMALDH1A1TSHR

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-20180333347-A1 PHOTOCHEMICALLY STABLE, NON-LEACHING SUNSCREENS FROM EPOXIDE-BASED SILANE COUPLING AGENTS AND UV ABSORBING CHROMOPHORES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2018-11-22 — — US claimed
US-20180333347-A1 PHOTOCHEMICALLY STABLE, NON-LEACHING SUNSCREENS FROM EPOXIDE-BASED SILANE COUPLING AGENTS AND UV ABSORBING CHROMOPHORES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2018-11-22 — — 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-20180333347-A1 PHOTOCHEMICALLY STABLE, NON-LEACHING SUNSCREENS FROM EPOXIDE-BASED SILANE COUPLING AGENTS AND UV ABSORBING CHROMOPHORES CCNE2, SUN2, CCNE1 KDM4E 2015/4885POLB 354/4885ATM 2551/4885

“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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