SCHEMBL4444858

SCHEMBL4444858

COc1cc(C2CC(C)(C)N(O)C(C)(C)C2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TSHR P16473 2/20 0.46
PTAFR P25105 2/20 0.44
NPC1 O15118 1/20 0.42
PTPN1 P18031 1/20 0.41
ACHE P22303 1/20 0.41
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40
TUBB4B P68371 4/20 0.40
TUBB3 Q13509 4/20 0.40
TUBB2A Q13885 4/20 0.40
TUBB8 Q3ZCM7 4/20 0.40
TUBA3E Q6PEY2 4/20 0.40
TUBA1A Q71U36 4/20 0.40
TUBA1C Q9BQE3 4/20 0.40
TUBB6 Q9BUF5 4/20 0.40
TUBB2B Q9BVA1 4/20 0.40

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
Hydrochloric Acid SCHEMBL4438294 0.98 MAPT (0.44) MAPTTSHRPTAFRNPC1PTPN1
SCHEMBL4436046 0.75 KDM4E (0.41) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14008435 0.74 KDM4E (0.58) ACHETUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL4438258 0.74 POLB (0.43) MAPTTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL4445449 0.73 POLB (0.60) ACHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29267402 0.73 PTAFR (0.62) MAPTTSHRPTAFRNPC1PTPN1
SCHEMBL17931328 0.70 GAA (0.36) KMT2AALDH1A1KDM4E
SCHEMBL20128521 0.70 ALDH1A1 (0.43) MAPTTSHRNPC1KMT2AMEN1
SCHEMBL9719080 0.70 PTAFR (0.58) MAPTTSHRPTAFRNPC1PTPN1
SCHEMBL9719087 0.70 PTAFR (0.58) MAPTTSHRPTAFRNPC1PTPN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP claimed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US claimed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO claimed
CN-103497148-A Hydroxylamine compounds and methods of their use OTHERA HOLDING INC 2014-01-08 CN disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
CN-101687786-B Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2013-05-22 CN disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO 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 (2 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 MAPT 2334/4885TSHR 1831/4885PTAFR 176/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 MAPT 2753/4885TSHR 2111/4885PTAFR 2435/4885

“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.