SCHEMBL578084

SCHEMBL578084

CCCCCCCC(C)(C)c1cc(N)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.47
▸ CNR1 P21554 7/20 0.47
▸ PPARA Q07869 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ KAT8 Q9H7Z6 2/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40

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
SCHEMBL28779811 0.84 PTPN11 (0.48) CNR2PPARARARB
SCHEMBL28779825 0.82 PTPN11 (0.46) CNR2PPARARARB
SCHEMBL15391024 0.79 PPARA (0.40) CNR2CNR1PPARAMAPTALDH1A1
SCHEMBL7043252 0.77 ALDH1A1 (0.40) CNR2CNR1PPARAMAPTALDH1A1
SCHEMBL3313891 0.76 PPARA (0.40) CNR2CNR1PPARAPPARGKAT8
SCHEMBL4327627 0.75 PPARA (0.54) PPARAMAPTALDH1A1CYP3A4GAA
SCHEMBL9068637 0.75 PPARA (0.54) PPARAMAPTALDH1A1CYP3A4GAA
SCHEMBL9068780 0.75 PPARA (0.54) PPARAMAPTALDH1A1CYP3A4GAA
SCHEMBL6112733 0.75 PPARA (0.54) PPARAMAPTALDH1A1CYP3A4GAA
SCHEMBL460892 0.74 KDM4E (0.57) MAPTALDH1A1CYP3A4GAAESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492301-B1 NOVEL CO-MODIFIED ORGANOPOLYSILOXANE DOW TORAY CO LTD (JP) 2023-03-29 — — EP disclosed
EP-3438159-B1 ORGANOPOLYSILOXANE, COSMETIC MATERIAL, AND METHOD FOR PRODUCING ORGANOPOLYSILOXANE SHINETSU CHEMICAL CO (JP) 2021-03-31 — — EP disclosed
US-10662294-B2 Organopolysiloxane, cosmetics, and method for manufacturing organopolysiloxane SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-05-26 — — US disclosed
EP-2921518-B1 ORGANOPOLYSILOXANE HAVING AMIDE GROUP, AND COSMETIC MATERIAL CONTAINING SAME SHINETSU CHEMICAL CO (JP) 2019-06-19 — — EP disclosed
US-20190077920-A1 ORGANOPOLYSILOXANE, COSMETICS, AND METHOD FOR MANUFACTURING ORGANOPOLYSILOXANE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-14 — — US disclosed
EP-3438159-A1 ORGANOPOLYSILOXANE, COSMETIC MATERIAL, AND METHOD FOR PRODUCING ORGANOPOLYSILOXANE Shin-Etsu Chemical Co., Ltd. (JP) 2019-02-06 — — EP disclosed
US-9890252-B2 Silicone compound and cosmetic containing thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-13 — — US disclosed
EP-3168255-B1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF SHINETSU CHEMICAL CO (JP) 2018-01-31 — — EP disclosed
US-20170137574-A1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-18 — — US disclosed
EP-3168255-A1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 2017-05-17 — — EP disclosed
US-20060222615-A1 Cosmetic preparation KANEBO COSMETICS INC. (JP) 2006-10-05 — — US disclosed
EP-1496080-B1 Alternating copolymer of organopolysiloxane with glycerol derivative and a cosmetic comprising the same SHINETSU CHEMICAL CO (JP) 2006-04-26 — — EP disclosed
US-6984390-B2 Silicone compound and cosmetic preparation SHIN-ETSU CHEMICAL CO. LTD. (JP) 2006-01-10 — — US disclosed
EP-1607081-A1 COSMETIC PREPARATION Kanebo Cosmetics, Inc. (JP) 2005-12-21 — — EP disclosed
US-20050008600-A1 Alternating copolymer of organopolysiloxane with grycerol derivative and a cosmetic comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-13 — — US disclosed
EP-1496080-A1 Alternating copolymer of organopolysiloxane with glycerol derivative and a cosmetic comprising the same Shin-Etsu Chemical Company, Ltd. (JP) 2005-01-12 — — EP disclosed
EP-1481660-A1 Cosmetic Shin-Etsu Chemical Co., Ltd. (JP) 2004-12-01 — — EP disclosed
EP-1291376-A1 SILICONE POLYMER, SILICONE COMPOSITION, AND COSMETIC PREPARATION CONTAINING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 — — EP disclosed
EP-1291377-A1 SILICONE COMPOUND AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-03-12 — — EP disclosed
EP-1213006-A1 COSMETICS KANEBO, LTD. (JP) 2002-06-12 — — 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 (4 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-20170137574-A1 NOVEL SILICONE COMPOUND AND COSMETIC CONTAINING THEREOF CCND2, MRGPRX1, MRGPRX2 CNR2 638/4885CNR1 909/4885PPARA 4286/4885
US-20190077920-A1 ORGANOPOLYSILOXANE, COSMETICS, AND METHOD FOR MANUFACTURING ORGANOPOLYSILOXANE PIEZO1, H1-0, TRPA1 CNR2 1506/4885CNR1 966/4885PPARA 3198/4885
US-20050008600-A1 Alternating copolymer of organopolysiloxane with grycerol derivative and a cosmetic comprising the same MGLL, DAGLA, AGL CNR2 3984/4885CNR1 3379/4885PPARA 838/4885
US-10662294-B2 Organopolysiloxane, cosmetics, and method for manufacturing organopolysiloxane PIEZO1, H1-0, TRPA1 CNR2 1506/4885CNR1 966/4885PPARA 3198/4885

“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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