SCHEMBL972162

SCHEMBL972162

c1cc(C2OCCO2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTT P42858 1/20 0.35
AKT1 P31749 1/20 0.34
CYP2A6 P11509 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2B6 P20813 1/20 0.33
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 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
SCHEMBL9078448 0.91 NR1I2 (0.37) CYP19A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9451016 0.72 MEN1 (0.44) HTTMAPK1CASP7POLBSMN1; SMN2
SCHEMBL12917336 0.71 KDM4E (0.40) CYP19A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11278995 0.70 MAPK1 (0.46) ALDH1A1HSD17B10KDM4EGLAGAA
SCHEMBL9827581 0.70 NR1I2 (0.38) CYP19A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL26662128 0.68
SCHEMBL7016103 0.67 DRD2 (0.50)
SCHEMBL5676260 0.67 CYP19A1 (0.31) CYP19A1HTT
SCHEMBL366283 0.65 CYP2C19 (0.62) TSHRMEN1CYP2C19KMT2A
SCHEMBL9741473 0.65 CYP2A6 (0.40) CYP19A1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-108484653-B Preparation method of thiophene borate 甘肃农业大学 2021-02-05 CN claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
CN-115611853-B Hole transport material, preparation method thereof and organic electroluminescent device 北京大学深圳研究生院 2024-04-16 CN disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
CN-116751200-A Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-09-15 CN disclosed
CN-110114071-B Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-07-04 CN disclosed
CN-114560885-B Sound-sensitive agent with low phototoxicity and preparation method and application thereof 北京理工大学 2023-03-14 CN disclosed
CN-115611853-A Hole transport material, preparation method thereof and organic electroluminescent device 北京大学深圳研究生院 2023-01-17 CN disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
EP-0177163-B1 HERBICIDAL ACETALS AND KETALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-12-12 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
US-4861366-A Herbicidal acetals and ketals E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-29 US disclosed
US-4753672-A FURAN-, THIOPHENE-, PYRAZOLE-, PYRIDINE- OR BENZENE-SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-28 US disclosed
US-4659369-A Herbicidal acetals and ketals E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-21 US disclosed
EP-0177163-A2 Herbicidal acetals and ketals E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-09 EP 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 (1 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-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 CYP19A1 677/4885CHRM2 2737/4885CHRM4 3856/4885

“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.