SCHEMBL1614526

SCHEMBL1614526

C#CC(C)(O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
KIF11 P52732 3/20 0.39
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DDAH1 O94760 1/20 0.32
NOS1 P29475 1/20 0.32
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
CYP17A1 P05093 1/20 0.32
AHR P35869 1/20 0.32
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL17210661 0.84 MEN1 (0.39) MEN1KMT2ACYP3A4LMNA
SCHEMBL28606840 0.77 ALDH1A1 (0.43) HDAC8KMT2ACYP3A4MAPT
SCHEMBL26105458 0.77 ALDH1A1 (0.43) HDAC8KMT2ACYP3A4MAPT
SCHEMBL25898561 0.77 HDAC8 (0.42) CYP19A1USP2RAB9AHDAC8KIF11
SCHEMBL127044 0.77 ALDH1A1 (0.43) HDAC8KMT2ACYP3A4MAPT
SCHEMBL23747179 0.77 HDAC8 (0.42) CYP19A1USP2RAB9AHDAC8KIF11
SCHEMBL17974815 0.77 CYP19A1 (0.39) CYP19A1USP2RAB9AKIF11MEN1
SCHEMBL1614645 0.76 CYP3A4 (0.47) CYP19A1CYP3A4LMNA
SCHEMBL15763664 0.76 TSHR (0.48) CYP19A1RAB9AMEN1KMT2ACYP3A4
SCHEMBL186944 0.74 RAB9A (0.41) CYP19A1USP2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836104-A Blue light induced method for hydrogen trifluoromethyl of alkynyl compound 湖南大学 2023-10-03 CN disclosed
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 US disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 EP disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 WO disclosed
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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 (3 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CYP19A1 597/4885USP2 3862/4885RAB9A 580/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA CYP19A1 410/4885USP2 3636/4885RAB9A 2352/4885
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CYP19A1 2395/4885USP2 2317/4885RAB9A 3110/4885

“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.