SCHEMBL936470

SCHEMBL936470

CC(C)(C#N)c1cc(CO)cc(C(C)(C)C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.49
UGT1A4 P22310 1/20 0.49
PDE4D Q08499 1/20 0.49
ACHE P22303 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
RORC P51449 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL10702682 0.89 CYP19A1 (0.41) CYP19A1UGT1A4PDE4DACHEESR1
SCHEMBL10187411 0.87 CYP19A1 (0.40) CYP19A1UGT1A4PDE4D
SCHEMBL17124419 0.84 CYP19A1 (0.38) CYP19A1UGT1A4PDE4D
SCHEMBL3173073 0.83 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL28381262 0.83 CYP19A1 (0.51) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL24317094 0.81 ATM (0.42) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL13265761 0.81 CYP19A1 (0.54) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL4246221 0.81 HTT (0.38) CYP19A1UGT1A4PDE4D
SCHEMBL12123247 0.79 CYP19A1 (0.49) CYP19A1UGT1A4PDE4DESR1ESR2
SCHEMBL18983725 0.79 ESR1 (0.46) CYP19A1UGT1A4PDE4DESR1ESR2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008034644-A2 PROCESS FOR MAKING ANASTROZOLE SYNTHON B.V. (NL) 2008-03-27 WO claimed
US-20080076933-A1 PROCESS FOR MAKING ANASTROZOLE SYNTHON BV (NL) 2008-03-27 US claimed
EP-2024343-B1 PROCESS FOR PURIFICATION OF ANASTROZOLE SYNTHON BV (NL) 2015-09-09 EP disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
US-7655806-B2 Process for purification of anastrozole SYNTHON BV (NL) 2010-02-02 US disclosed
US-20070281982-A1 PROCESS FOR PURIFICATION OF ANASTROZOLE SYNTHON BV (NL) 2007-12-06 US disclosed
WO-2007134846-A2 PROCESS FOR PURIFICATION OF ANASTROZOLE SYNTHON B.V. (NL) 2007-11-29 WO disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
WO-2007039913-A1 PROCESS FOR THE PREPARATION OF 2,2’-[5-(1,2,4-TRIAZOLE-1-YLMETHYL) -1,3-PHENYLENE] DI (2-METHYLPROPIONITRILE). USV LIMITED (IN) 2007-04-12 WO disclosed
US-RE36617-E Anastrozole and salts as anticancer agent ZENECA LIMITED (GB) 2000-03-14 US disclosed
EP-0296749-B1 (Substituted aralkyl) heterocyclic compounds ZENECA LTD (GB) 1994-10-26 EP disclosed
US-4935437-A (Substituted aralkyl) heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-19 US disclosed
EP-0296749-A1 (Substituted aralkyl) heterocyclic compounds ZENECA LIMITED (GB) 1988-12-28 EP 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 (5 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885UGT1A4 270/4885PDE4D 3642/4885
US-20070281982-A1 PROCESS FOR PURIFICATION OF ANASTROZOLE CYP19A1, HSD17B11, ADH1A CYP19A1 1/4885UGT1A4 254/4885PDE4D 1560/4885
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS PTGER2, PTGES2, PTGS2 CYP19A1 9/4885UGT1A4 1030/4885PDE4D 2260/4885
US-20080076933-A1 PROCESS FOR MAKING ANASTROZOLE CYP19A1, CYP3A4, CYP2C19 CYP19A1 1/4885UGT1A4 47/4885PDE4D 1598/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 CYP19A1 1/4885UGT1A4 270/4885PDE4D 3642/4885

“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.