SCHEMBL119805

SCHEMBL119805

O=C(NONC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
ALDH1A1 P00352 3/20 0.62
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CTRB1 P17538 2/20 0.53
MGLL Q99685 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL7764162 0.86 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL2295789 0.85 CA12 (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL15720647 0.85 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL11100708 0.85 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL156297 0.84 CA12 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL234454 0.83 LMNA (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL28347887 0.83 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL19400415 0.83 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL6406957 0.83 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL9462241 0.83 CA12 (0.61) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2022-02-03 US disclosed
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2020-11-19 US disclosed
US-9919060-B2 Treatment or prophylaxis of proliferative conditions UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2018-03-20 US disclosed
US-20170368188-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2017-12-28 US disclosed
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed
US-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2015-01-08 US disclosed
US-20120302748-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-11-29 US disclosed
US-8283340-B2 Treatment or prophylaxis of proliferative conditions The University of the University of Dundee (GB) 2012-10-09 US disclosed
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2012-07-26 US disclosed
EP-2424524-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS University Court of The University of Dundee (GB) 2012-03-07 EP disclosed
US-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-02 US disclosed
WO-2010125350-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-11-04 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 (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-20100305070-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 CA12 2995/4885CA1 4007/4885CA2 3157/4885
US-20200360521-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CA12 2622/4885CA1 3263/4885CA2 2188/4885
US-20120302748-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS BRCA1, CYP1B1, UGT1A1 CA12 2995/4885CA1 4007/4885CA2 3157/4885
US-20120190639-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CA12 2622/4885CA1 3263/4885CA2 2188/4885
US-20220031852-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CA12 2622/4885CA1 3263/4885CA2 2188/4885
US-20170368188-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CA12 2444/4885CA1 3344/4885CA2 2402/4885
US-20150011512-A1 TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS CYP1B1, UGT1A1, CYP1A1 CA12 2622/4885CA1 3263/4885CA2 2188/4885

“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.