SCHEMBL773572

SCHEMBL773572

COC(=O)c1ccc(C)c(C)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
CYP3A4 P08684 2/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 2/20 0.42
MAPT P10636 2/20 0.42

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
Ammonia Solution, Strong SCHEMBL9396736 0.98 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL3969049 0.89 CA12 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL28858015 0.86 GRM6 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL29026677 0.86 CA12 (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL13199184 0.84 CA12 (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL3494181 0.83 CA12 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL11348001 0.83 CA1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL772841 0.81 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL9243117 0.80 KMT2A (0.37) ALDH1A1CA12CA1CA2CA7
SCHEMBL19330936 0.80 CA12 (0.48) ALDH1A1CA12CA1CA2CA7

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
CN-117143552-B Adhesive composition, preparation method thereof, battery pole piece, secondary battery and power utilization device 宁德时代新能源科技股份有限公司 2024-03-29 CN disclosed
CN-117143552-A Adhesive composition, preparation method thereof, battery pole piece, secondary battery and power utilization device 宁德时代新能源科技股份有限公司 2023-12-01 CN disclosed
CN-105601514-A Hexa-substituted benzene with symmetrical structure and synthesis method thereof NANTONG DONGCHANG CHEMICAL IND CO LTD 2016-05-25 CN disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 US disclosed
EP-2081896-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008061955-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-05-29 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885CA12 445/4885CA1 1062/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALDH1A1 1899/4885CA12 445/4885CA1 1062/4885
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 ALDH1A1 1264/4885CA12 4516/4885CA1 4599/4885

“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.