SCHEMBL10534245

SCHEMBL10534245

CCOCc1ccc(C(C)(C)OCC)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.35
▸ ESR1 P03372 3/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN6 P29350 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ CHRM3 P20309 1/20 0.30

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
SCHEMBL2816581 0.83 MAPK1 (0.40) ESR1ESR2TSHRNPC1RAB9A
SCHEMBL8251933 0.82 APP (0.50) APPTSHRNPC1RAB9AMEN1
SCHEMBL18911060 0.78 ESR1 (0.39) APPESR1ESR2IDO1PTPN2
SCHEMBL133476 0.78 TSHR (0.48) IDO1TSHR
SCHEMBL18574373 0.78 APP (0.36) APPESR1ESR2IDO1PTPN2
SCHEMBL12380890 0.78 TSHR (0.36) APPESR1TSHRKMT2A
SCHEMBL19144067 0.77 ESR1 (0.42) ESR1ESR2TSHRMEN1KMT2A
SCHEMBL3434078 0.76 IDO1 (0.59) IDO1PTPN2PTPN1PTPN6KMT2A
SCHEMBL8750541 0.76 SHBG (0.55) APPESR1ESR2IDO1PTPN2
SCHEMBL18473524 0.76 ESR1 (0.37) APPESR1ESR2IDO1PTPN2

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
US-20230279560-A1 CYCLIC COMPOUNDS AS AROMA CHEMICALS BASF SE (DE) 2023-09-07 — — US claimed
EP-4189141-A1 CYCLIC COMPOUNDS AS AROMA CHEMICALS BASF SE (DE) 2023-06-07 — — EP claimed
CN-115943229-A Cyclic compounds as aromachemicals 巴斯夫欧洲公司 2023-04-07 — — CN claimed
US-20230279560-A1 CYCLIC COMPOUNDS AS AROMA CHEMICALS BASF SE (DE) 2023-09-07 — — US disclosed
EP-4189141-A1 CYCLIC COMPOUNDS AS AROMA CHEMICALS BASF SE (DE) 2023-06-07 — — EP disclosed
CN-115943229-A Cyclic compounds as aromachemicals 巴斯夫欧洲公司 2023-04-07 — — CN disclosed
EP-0275489-B1 BENZALDEHYDE DERIVATIVES, THEIR PREPARATION AND APPLICATION BASF Aktiengesellschaft (DE) 1989-08-09 — — EP disclosed
US-4814510-A Novel benzaldehyde derivatives, their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1989-03-21 — — US disclosed
EP-0275489-A1 Benzaldehyde derivatives, their preparation and application BASF Aktiengesellschaft (DE) 1988-07-27 — — 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-20230279560-A1 CYCLIC COMPOUNDS AS AROMA CHEMICALS C1S, VDAC2, VDAC3 APP 1039/4885ESR1 353/4885ESR2 841/4885

“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.

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