SCHEMBL6801718

SCHEMBL6801718

COc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.79
TUBB4A P04350 1/20 0.70
TUBB P07437 1/20 0.70
TUBA3C P0DPH7 1/20 0.70
TUBA1B P68363 1/20 0.70
TUBA4A P68366 1/20 0.70
TUBB4B P68371 1/20 0.70
TUBB3 Q13509 1/20 0.70
TUBB2A Q13885 1/20 0.70
TUBB8 Q3ZCM7 1/20 0.70
TUBA3E Q6PEY2 1/20 0.70
TUBA1A Q71U36 1/20 0.70
TUBA1C Q9BQE3 1/20 0.70
TUBB6 Q9BUF5 1/20 0.70
TUBB2B Q9BVA1 1/20 0.70
TUBB1 Q9H4B7 1/20 0.70
NQO1 P15559 1/20 0.70
KDM4E B2RXH2 6/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67

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
SCHEMBL847531 1.00 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL847532 1.00 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9862507 1.00 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL847533 1.00 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6801712 1.00 NQO2 (0.79) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9390654 0.92 NQO2 (0.68) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9789488 0.92 NQO2 (0.68) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9789494 0.92 NQO2 (0.68) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9390649 0.92 NQO2 (0.68) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9789491 0.92 NQO2 (0.68) NQO2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11622954-B2 Estrogen receptor ligands, compositions and methods related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-11 US disclosed
US-20210196667-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-01 US disclosed
EP-3509583-B1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO UNIV CALIFORNIA (US) 2021-06-30 EP disclosed
US-10980767-B2 Estrogen receptor ligands, compositions and methods related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-20 US disclosed
US-20190192476-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-06-27 US disclosed
CN-109535030-A It is a kind of using formamide as the preparation method of the acrylonitrile compound in cyanogen source 湘潭大学 2019-03-29 CN disclosed
WO-2018049094-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-15 WO disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 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 (4 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-20190192476-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO ESR2, ESRRG, ESR1 NQO2 3144/4885TUBB4A 1061/4885TUBB 1018/4885
US-20210196667-A1 ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO ESR2, ESRRG, ESR1 NQO2 3144/4885TUBB4A 1061/4885TUBB 1018/4885
US-11622954-B2 Estrogen receptor ligands, compositions and methods related thereto ESR2, ESRRG, ESR1 NQO2 3144/4885TUBB4A 1061/4885TUBB 1018/4885
US-10980767-B2 Estrogen receptor ligands, compositions and methods related thereto ESR2, ESRRG, ESR1 NQO2 3144/4885TUBB4A 1061/4885TUBB 1018/4885

“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.