SCHEMBL6664059

SCHEMBL6664059

COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TLR9 Q9NR96 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 5/20 0.44

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
SCHEMBL4963121 0.85 ALDH1A1 (0.44) MEN1KMT2ATLR9ALDH1A1MAPT
SCHEMBL6273742 0.83 KDM4E (0.48) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL14451808 0.83 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6742461 0.83 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL7042879 0.82 MAPT (0.41) MEN1KMT2ATLR9ALDH1A1MAPT
SCHEMBL7530267 0.82 HTT (0.42) MEN1KMT2ATLR9ALDH1A1MAPT
SCHEMBL6268698 0.82 TLR9 (0.50) TUBB1MEN1KMT2ATLR9ALDH1A1
SCHEMBL4965062 0.82 THRB (0.48) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4963578 0.81 ALOX5 (0.48) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6657214 0.81 MAPT (0.43) MEN1KMT2ARAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157001-B1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2004-08-04 EP disclosed
US-20030114521-A1 Oxamic acids and derivatives as thyroid receptor ligands CHIANG YUAN-CHING PHOEBE (US) 2003-06-19 US disclosed
US-6545018-B2 Treating obesity, hyperlipidemia, glaucoma, arrhythmia, skin disorders, thyroid disease, hypothyroidism, diabetes mellitus, atherosclerosis, hypertension, coronary heart disease, hypercholesteremia, depression and osteoporosis PFIZER INC. 2003-04-08 US disclosed
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands CHIANG YUAN-CHING PHOEBE (US) 2002-04-25 US disclosed
US-6326398-B1 Oxamic acids and derivatives as thyroid receptor ligands PFIZER INC. 2001-12-04 US disclosed
EP-1157001-A1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2001-11-28 EP disclosed
WO-2000051971-A1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2000-09-08 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-20030114521-A1 Oxamic acids and derivatives as thyroid receptor ligands OXER1, THRA, TSHR TUBB4A 4549/4885TUBB 3716/4885TUBA3C 4586/4885
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands OXER1, THRA, OXGR1 TUBB4A 4791/4885TUBB 4173/4885TUBA3C 4801/4885

“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.