SCHEMBL4663416

SCHEMBL4663416

C[CH]CC/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.81
▸ SQLE Q14534 8/20 0.68
▸ MAPT P10636 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ UGT1A1 P22309 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.57
▸ FNTA P49354 1/20 0.52
▸ FNTB P49356 1/20 0.52

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
SCHEMBL1716636 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL4663420 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL1716635 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL19327214 1.00 KMT2A (0.81) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL23802597 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL4444267 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL2799805 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL21823197 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21639794 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL39067 0.90 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132214-A1 α-HYDROXYISOBUTYRIC ACID ESTER COMPOUND AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-07-01 — — WO disclosed
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-11-13 — — US disclosed
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-10-23 — — US disclosed
US-7425320-B2 Use of guaiol for treating the skin CIBA SPECIALTY CHEMICALS CORP (US) 2008-09-16 — — US disclosed
US-20070219275-A1 Use of Benzophenone Uv Filters for Preventing Tanning BASCHONG WERNER 2007-09-20 — — US disclosed
EP-1737419-A2 USE OF BENZOPHENONE UV FILTERS FOR PREVENTING TANNING Ciba SC Holding AG (CH) 2007-01-03 — — EP disclosed
US-20060216252-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-28 — — US disclosed
WO-2005094772-A2 USE OF BENZOPHENONE UV FILTERS FOR PREVENTING TANNING CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-13 — — WO disclosed
US-20050058610-A1 Cosmetic mixtures containing ultraviolet radiation absorber and decoloring agents CIBA SPECIALTY CHEMICALS CORP. 2005-03-17 — — US disclosed
US-5738693-A REACTING WITH DIAZONIUM SALT TO FORM AZO DYE BASF AKTIENGESELLSCHAFT (DE) 1998-04-14 — — US disclosed
US-5627077-A DETECTION OF MARKED MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 — — US disclosed
EP-0716743-A1 METHOD OF DETECTING NAPHTHYLAMINES IN MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1996-06-19 — — EP disclosed
EP-0673919-A1 Process for the preparation of carbocylic m-amino-hydroxyaromatic compounds BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 — — EP disclosed
WO-1995007460-A1 METHOD OF DETECTING NAPHTHYLAMINES IN MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1995-03-16 — — WO disclosed
EP-0626992-A1 METAL SALTS AS MARKING AGENTS FOR COMBUSTIBLE BITUMEN. BASF ITALIA (IT) 1994-12-07 — — EP disclosed
EP-0358080-B1 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF AG (DE) 1993-12-01 — — EP disclosed
WO-1993016149-A1 METAL SALTS AS MARKING AGENTS FOR COMBUSTIBLE BITUMEN BASF ITALIA S.P.A. (IT) 1993-08-19 — — WO disclosed
US-5047312-A Absorption in near infrared, laser light BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
EP-0358080-A2 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF Aktiengesellschaft (DE) 1990-03-14 — — 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 (5 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-20050058610-A1 Cosmetic mixtures containing ultraviolet radiation absorber and decoloring agents TYR, MC1R, UNG KMT2A 3538/4885SQLE 468/4885MAPT 673/4885
US-20070219275-A1 Use of Benzophenone Uv Filters for Preventing Tanning C1R, CBR3, AOC3 KMT2A 3810/4885SQLE 1741/4885MAPT 4671/4885
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R KMT2A 2258/4885SQLE 729/4885MAPT 4613/4885
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R KMT2A 2258/4885SQLE 729/4885MAPT 4613/4885
US-20060216252-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R KMT2A 2175/4885SQLE 772/4885MAPT 4638/4885

“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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