SCHEMBL16298958

SCHEMBL16298958

Cc1cc(O)c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ SLC6A9 P48067 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL10102506 0.83 TSHR (0.41) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL16298959 0.81 ALDH1A1 (0.39) ALOX15RXFP1MEN1KMT2ALMNA
SCHEMBL21044180 0.80 LMNA (0.50) ALOX15MEN1KMT2ALMNAHPGD
SCHEMBL3224516 0.74 CA12 (0.48) RXFP1MEN1KMT2AATMLMNA
SCHEMBL30218460 0.74 PHGDH (0.40) ALOX15MEN1KMT2ALMNAPOLB
SCHEMBL21044095 0.74 PHGDH (0.40) ALOX15MEN1KMT2ALMNAPOLB
SCHEMBL30218461 0.74 PHGDH (0.40) ALOX15MEN1KMT2ALMNAPOLB
SCHEMBL19403152 0.73 LMNA (0.66) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL19605877 0.73 LMNA (0.66) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL15363580 0.73 LMNA (0.66) MEN1KMT2AATMLMNAALDH1A1

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-8119103-B2 Bifunctional resorcinol, thioresorcinol, and dithioresorcinol derivative metal chelating conjugates MALLINCKRODT LLC (US) 2012-02-21 — — US disclosed
US-20090082324-A1 Bifunctional Resorcinol, Thioresorcinol, and Dithioresorcinol Derivative Metal Chelating Conjugates INFACARE PHARMACEUTICAL CORPORATION 2009-03-26 — — 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-20090082324-A1 Bifunctional Resorcinol, Thioresorcinol, and Dithioresorcinol Derivative Metal Chelating Conjugates SPR, QDPR, SLC40A1 ALOX15 4499/4885RXFP1 1520/4885MEN1 1017/4885

“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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