SCHEMBL10102506

SCHEMBL10102506

CC(C)(C)c1cc(O)c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CD69 Q07108 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ELANE P08246 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35

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
SCHEMBL16298958 0.83 ALOX15 (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL10102507 0.78 GABRA1 (0.40) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL22131068 0.76 MEN1 (0.60) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL22016055 0.76 MEN1 (0.60) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL13930455 0.75 LOXL2 (0.33) TSHRALDH1A1LMNA
SCHEMBL3224516 0.71 CA12 (0.48) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL22131077 0.70 MEN1 (0.53) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL1387848 0.70 RXRA (0.38) TSHRMEN1KMT2AALDH1A1CD69
SCHEMBL29042657 0.69 ALDH1A1 (0.39) MEN1KMT2AALDH1A1CD69MAPT
SCHEMBL13930456 0.69 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAKDM4E

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 TSHR 209/4885MEN1 1017/4885KMT2A 1441/4885

“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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