SCHEMBL9400263

SCHEMBL9400263

CC1(C)CCCC2(C)C1CC[C@@]1(C)OC(=O)CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ ENTPD5 O75356 1/20 0.54
▸ RPS6KA5 O75582 3/20 0.46
▸ MAPKAPK2 P49137 3/20 0.46
▸ LTB4R Q15722 1/20 0.46
▸ ALOX15 P16050 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ NR1H4 Q96RI1 3/20 0.40
▸ PTPN1 P18031 4/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ EPAS1 Q99814 3/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL6251885 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1094480 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9289576 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13206588 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13223919 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL17030368 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12794189 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14029401 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880769 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL18256420 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11071701-B2 Medicament and cosmetic composition comprising resorcinol derivatives SYMRISE AG (DE) 2021-07-27 — — US disclosed
US-20210069083-A1 METHOD FOR IMPROVING SKIN WHITENING POWER OF A SKIN WHITENING AGENT SYMRISE AG (DE) 2021-03-11 — — US disclosed
US-10857089-B2 Cosmetic compositions comprising purple coneflower pressed juice SYMRISE AG (DE) 2020-12-08 — — US disclosed
US-10780042-B2 Cosmetic compositions SYMRISE AG (DE) 2020-09-22 — — US disclosed
US-10780043-B2 Cosmetic compositions comprising ginger root extracts SYMRISE AG (DE) 2020-09-22 — — US disclosed
US-10357447-B2 Cosmetic compositions comprising sclareolide SYMRISE AG (DE) 2019-07-23 — — US disclosed
US-20190183760-A1 MEDICAMENT AND COSMETIC COMPOSITION COMPRISING RESORCINOL DERIVATIVES SYMRISE AG (DE) 2019-06-20 — — US disclosed
US-20190117547-A1 COSMETIC COMPOSITIONS COMPRISING SCLAREOLIDE SYMRISE AG (DE) 2019-04-25 — — US disclosed
US-20180256473-A1 Cosmetic Compositions Comprising Sclareolide SYMRISE AG (DE) 2018-09-13 — — US disclosed
US-20180153783-A1 COSMETIC COMPOSITIONS SYMRISE AG (DE) 2018-06-07 — — US disclosed
EP-2789369-B1 A composition for lightening skin and hair SYMRISE AG (DE) 2018-06-06 — — EP disclosed
US-20180147135-A1 COSMETIC COMPOSITIONS COMPRISING GINGER ROOT EXTRACTS SYMRISE AG (DE) 2018-05-31 — — US disclosed
US-20160067163-A1 A Composition for Lightening Skin and Hair SYMRISE AG (DE) 2016-03-10 — — US disclosed
US-5292902-A Process for the manufacture of odorants and intermediates used therein GIVAUDAN-ROURE CORPORATION (US) 1994-03-08 — — 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 (12 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-20210069083-A1 METHOD FOR IMPROVING SKIN WHITENING POWER OF A SKIN WHITENING AGENT GSTK1, CUTA, TYR ALDH1A1 216/4885CYP3A4 3106/4885CYP2C9 1938/4885
US-11071701-B2 Medicament and cosmetic composition comprising resorcinol derivatives TYR, NQO1, RDX ALDH1A1 380/4885CYP3A4 849/4885CYP2C9 1651/4885
US-20180147135-A1 COSMETIC COMPOSITIONS COMPRISING GINGER ROOT EXTRACTS DNER, CDYL2, NOTCH2 ALDH1A1 935/4885CYP3A4 1011/4885CYP2C9 619/4885
US-10857089-B2 Cosmetic compositions comprising purple coneflower pressed juice DNER, CDYL2, NOTCH2 ALDH1A1 1214/4885CYP3A4 1544/4885CYP2C9 716/4885
US-20190117547-A1 COSMETIC COMPOSITIONS COMPRISING SCLAREOLIDE TYR, MC1R, MITF ALDH1A1 486/4885CYP3A4 2812/4885CYP2C9 820/4885
US-20180256473-A1 Cosmetic Compositions Comprising Sclareolide DNER, CDYL2, CDYL ALDH1A1 1145/4885CYP3A4 1490/4885CYP2C9 727/4885
US-10780043-B2 Cosmetic compositions comprising ginger root extracts DNER, CDYL2, NOTCH2 ALDH1A1 935/4885CYP3A4 1011/4885CYP2C9 619/4885
US-10357447-B2 Cosmetic compositions comprising sclareolide DNER, CDYL2, CDYL ALDH1A1 1145/4885CYP3A4 1490/4885CYP2C9 727/4885
US-20160067163-A1 A Composition for Lightening Skin and Hair TYR, TPSAB1, CYBA ALDH1A1 385/4885CYP3A4 521/4885CYP2C9 398/4885
US-20190183760-A1 MEDICAMENT AND COSMETIC COMPOSITION COMPRISING RESORCINOL DERIVATIVES TYR, NQO1, RDX ALDH1A1 380/4885CYP3A4 849/4885CYP2C9 1651/4885
US-20180153783-A1 COSMETIC COMPOSITIONS DNER, CDYL2, CDYL ALDH1A1 1658/4885CYP3A4 1219/4885CYP2C9 693/4885
US-10780042-B2 Cosmetic compositions DNER, CDYL2, CDYL ALDH1A1 1658/4885CYP3A4 1219/4885CYP2C9 693/4885

“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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