SCHEMBL149042

SCHEMBL149042

CC(CO)COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.50
TACR1 P25103 2/20 0.47
TRPA1 O75762 3/20 0.46
HTT P42858 1/20 0.45
SLC1A1 P43005 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL4545487 1.00 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL4909693 1.00 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL3883464 0.91 TSHR (0.47) CA1CA2CA7CA9TSHR
SCHEMBL13839552 0.91 TSHR (0.47) CA1CA2CA7CA9TSHR
SCHEMBL14453899 0.88 TSHR (0.61) CA1CA2CA7CA9TSHR
SCHEMBL1195445 0.85 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL12361734 0.83 AGXT (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL12519871 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR
SCHEMBL10052366 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR
SCHEMBL13003073 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS INC (US) 2026-05-21 US disclosed
EP-4724440-A1 METHODS OF TREATING INFLAMMATORY DISEASES Interline Therapeutics, Inc. (US) 2026-04-15 EP disclosed
WO-2024254539-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 US disclosed
US-4172958-A Ethers of 2,6,10-trimethyl-undecan-1-ols HOFFMANN-LA ROCHE INC. (US) 1979-10-30 US disclosed
US-4169209-A Ethers of 2,6-dimethyl-octane-1,8-diols HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4163021-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4140723-A Intermediate compounds for producing vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4140702-A Process for producing vitamin E intermediate compounds HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4111961-A Silicon ester of carboxylic acid HOFFMANN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4107183-A Synthesis of optically active carboxylic acid esters HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 US disclosed
US-4041058-A Synthesis of 2,6,10-trimethyl-undecan-1-ol HOFFMANN-LA ROCHE INC. (US) 1977-08-09 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-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 CA1 4395/4885CA2 4554/4885CA7 4668/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 CA1 4140/4885CA2 1930/4885CA7 1096/4885
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CA1 4863/4885CA2 4252/4885CA7 4721/4885
US-20260137706-A1 METHODS OF TREATING INFLAMMATORY DISEASES NR3C1, CCR1, CXCR2 CA1 963/4885CA2 1321/4885CA7 1117/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CA1 4863/4885CA2 4252/4885CA7 4721/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 CA1 4779/4885CA2 4793/4885CA7 2431/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B CA1 4863/4885CA2 4252/4885CA7 4721/4885

“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.