SCHEMBL29946590

SCHEMBL29946590

Cc1c(O)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.60
▸ TSHR P16473 3/20 0.60
▸ CYP2A6 P11509 3/20 0.60
▸ PTPN22 Q9Y2R2 1/20 0.60
▸ POLB P06746 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ PAK1 Q13153 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ ERN1 O75460 1/20 0.50
▸ HPGD P15428 2/20 0.48

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
SCHEMBL254544 1.00 CYP1A2 (0.60) CYP1A2TSHRCYP2A6PTPN22POLB
Methane SCHEMBL3496356 0.98 CYP1A2 (0.58) CYP1A2TSHRCYP2A6PTPN22POLB
Betanaphthol SCHEMBL17506723 0.87 CYP1A2 (0.61) CYP1A2TSHRCYP2A6PTPN22POLB
SCHEMBL3835260 0.80 ESR1 (0.50) CYP1A2CYP2A6PTPN22POLBHSD17B10
Methyl Alcohol SCHEMBL8432688 0.76 PTPN22 (0.91) CYP1A2TSHRCYP2A6PTPN22POLB
SCHEMBL15400598 0.75 PTPN22 (0.65) CYP1A2TSHRCYP2A6PTPN22POLB
SCHEMBL29027 0.75 PTPN22 (0.65) CYP1A2TSHRCYP2A6PTPN22POLB
SCHEMBL28814927 0.75 CYP2A6 (1.00) CYP1A2TSHRCYP2A6HSD17B10ALDH1A1
SCHEMBL29362162 0.75 PTPN22 (0.65) CYP1A2TSHRCYP2A6PTPN22POLB
SCHEMBL29613822 0.75 PTPN22 (1.00) CYP1A2TSHRCYP2A6PTPN22POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362924-A1 FRAGRANCE COMPOSITION Coty Inc. (US) 2024-05-08 — — EP claimed
WO-2023278732-A1 FRAGRANCE COMPOSITION COTY INC. (US) 2023-01-05 — — WO claimed
US-12527733-B2 Fragrance compositions ELC MANAGEMENT LLC (US) 2026-01-20 — — US disclosed
US-20240287406-A1 FRAGRANCE COMPOSITION COTY INC. 2024-08-29 — — US disclosed
EP-4384137-A1 FRAGRANCE COMPOSITIONS ELC Management LLC (US) 2024-06-19 — — EP disclosed
EP-4362924-A1 FRAGRANCE COMPOSITION Coty Inc. (US) 2024-05-08 — — EP disclosed
CN-117940102-A Fragrance composition ELC管理有限责任公司 2024-04-26 — — CN disclosed
CN-117677381-A Fragrance composition 科蒂公司 2024-03-08 — — CN disclosed
US-20230048533-A1 FRAGRANCE COMPOSITIONS ELC MANAGEMENT LLC 2023-02-16 — — US disclosed
WO-2023018673-A1 FRAGRANCE COMPOSITIONS ELC MANAGEMENT LLC (US) 2023-02-16 — — WO disclosed
WO-2023278732-A1 FRAGRANCE COMPOSITION COTY INC. (US) 2023-01-05 — — WO disclosed
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-09-29 — — 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 (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-20240287406-A1 FRAGRANCE COMPOSITION FAAH2, FAAH, C1S CYP1A2 121/4885TSHR 4068/4885CYP2A6 858/4885
US-12527733-B2 Fragrance compositions CUTA, IL36G, TAS2R40 CYP1A2 744/4885TSHR 3331/4885CYP2A6 435/4885
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX SERBP1, PPHLN1, VCAM1 CYP1A2 4565/4885TSHR 4350/4885CYP2A6 4657/4885

“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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