SCHEMBL10176540

SCHEMBL10176540

NC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
CA2 P00918 2/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
TSHR P16473 5/20 0.36
ALOX15 P16050 1/20 0.36
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
CFTR P13569 1/20 0.33
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32
ALOX12 P18054 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL868072 0.77 HSP90AA1 (0.39) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL10665143 0.76 HSP90AA1 (0.35) HSP90AA1CA2CA4CA5ATSHR
Bromide SCHEMBL5063713 0.74 HSP90AA1 (0.38) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL4968872 0.71 CA2 (0.43) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL6397176 0.71 HSP90AA1 (0.43) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL3140190 0.71 HSP90AA1 (0.39) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL688290 0.71 HSP90AA1 (0.43) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL7633171 0.71 HSP90AA1 (0.39) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL306807 0.71 TSHR (0.41) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL16161029 0.70 TSHR (0.38) HSP90AA1CA2CA4CA5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 US disclosed
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 BIOVIE INC. 2010-09-02 US disclosed
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 BIOVIE INC. 2010-09-02 US disclosed
US-7723532-B2 Pharmaceutical compositions 3 HARBOR BIOSCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090215737-A1 Pharmaceutical Compositions - 2 BIOVIE INC. 2009-08-27 US disclosed
US-7524835-B2 Tetrol steroids and esters HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2009-04-28 US disclosed
US-20080176824-A1 Pharmaceutical Compositions 3 BIOVIE INC. 2008-07-24 US disclosed
US-7396827-B2 Pharmaceutical compositions and treatment methods HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-20080045490-A1 Pharmaceutical Compositions BIOVIE INC. 2008-02-21 US disclosed
US-20070275936-A1 Formulations and Treatment Methods BIOVIE INC. 2007-11-29 US disclosed
US-20070275936-A1 Formulations and Treatment Methods BIOVIE INC. 2007-11-29 US disclosed
US-20070129282-A1 Pharmaceutical treatments and compositions BIOVIE INC. 2007-06-07 US 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 (7 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-20080045490-A1 Pharmaceutical Compositions HSD3B1, HSD17B3, HSD17B1 HSP90AA1 1772/4885CA2 3762/4885CA4 2901/4885
US-20090215737-A1 Pharmaceutical Compositions - 2 HSD3B2, HSD3B1, HSD17B2 HSP90AA1 2294/4885CA2 2169/4885CA4 3185/4885
US-20070129282-A1 Pharmaceutical treatments and compositions HSD3B1, HSD3B2, HSD17B1 HSP90AA1 1234/4885CA2 3601/4885CA4 2982/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 HSP90AA1 916/4885CA2 3704/4885CA4 3360/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 HSP90AA1 2187/4885CA2 3497/4885CA4 677/4885
US-20080176824-A1 Pharmaceutical Compositions 3 HSD3B1, HSD17B3, HSD3B2 HSP90AA1 1663/4885CA2 3823/4885CA4 3497/4885
US-20070275936-A1 Formulations and Treatment Methods HSD3B1, HSD17B1, HSD17B3 HSP90AA1 1274/4885CA2 3848/4885CA4 2989/4885

“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.