SCHEMBL732201

SCHEMBL732201

CC(C)(C)c1ccccc1[S]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CA2 P00918 1/20 0.46
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALOX12 P18054 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
Fluoride SCHEMBL1335641 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
Hydrochloric Acid SCHEMBL945305 0.95 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL29355273 0.78 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL580584 0.78 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL28606377 0.77 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL9594575 0.75 ALDH1A1 (0.33) ALDH1A1TDP1TSHRCA2
SCHEMBL9196196 0.75 CA2 (0.70) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL9594550 0.74 ALDH1A1 (0.32) ALDH1A1TDP1TSHRHTT
SCHEMBL8046454 0.74 SHBG (0.38) ALDH1A1TDP1TSHRPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL31147078 0.73 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293256-A1 Remedy or preventive for kidney disease and method of diagnosing kidney disease TORAY INDUSTRIES, INC. (JP) 2006-12-28 — — US claimed
US-7004979-B2 Dyeing composition comprising at least one diaminopyrazole oxidation base and at least one pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2006-02-28 — — US claimed
EP-1550462-A1 REMEDY OR PREVENTIVE FOR KIDNEY DISEASE AND METHOD OF DIAGNOSING KIDNEY DISEASE TORAY INDUSTRIES, INC. (JP) 2005-07-06 — — EP claimed
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2004-12-02 — — US claimed
EP-0891181-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2003-05-14 — — EP claimed
US-6551360-B2 Pyrazoline-3,5-dione-containing compositions for dyeing keratin fibres; their use in dyeing as couplers; dyeing process VIDAL LAURENT (FR) 2003-04-22 — — US claimed
EP-0889718-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRROLO-AZOLE COMPOUNDS, USE THEREOF AS COUPLERS, AND DYEING METHOD OREAL (FR) 2002-09-18 — — EP claimed
EP-0900074-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING PYRAZOLIN-3,5-DIONE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2002-05-15 — — EP claimed
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 — — US claimed
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing L' OREAL S.A. 2002-01-24 — — US claimed
US-20010054205-A1 Pyrazoline-3, 5-dione-containing compositions for dyeing keratin fibres; their use in dyeing as couplers; dyeing process L'OREAL 2001-12-27 — — US claimed
US-20010020309-A1 Compositions for dyeing keratinous fibres, containing pyrrolo-azoles; use as couplers; method of dyeing L'OREAL S.A. 2001-09-13 — — US claimed
US-6238440-B1 OXIDATION-DYEING HAIR L'OREAL S.A. (FR) 2001-05-29 — — US claimed
US-6231623-B1 OXIDATIVE DYES L'OREAL S.A. (FR) 2001-05-15 — — US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 — — EP claimed
EP-0893985-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2000-04-12 — — EP claimed
US-4399148-A SYSTEMIC PESTICIDES; APHIDICIDES UNION CARBIDE CORPORATION (US) 1983-08-16 — — US claimed
EP-0067503-A1 Hydroxyaryliminoaryl carbamates, imine bisphenols and derivatives thereof useful as insecticidal compositions UNION CARBIDE CORPORATION (US) 1982-12-22 — — EP claimed
EP-2700644-B1 NOVEL COMPOUND, NEAR-INFRARED ABSORBENT, AND SYNTHETIC RESIN COMPOSITION CONTAINING SAME ADEKA CORP (JP) 2015-05-20 — — EP disclosed
EP-0152296-A2 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1985-08-21 — — 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-20010054205-A1 Pyrazoline-3, 5-dione-containing compositions for dyeing keratin fibres; their use in dyeing as couplers; dyeing process KRT18, PYCR1, COX5A ALDH1A1 125/4885TDP1 1903/4885TSHR 1688/4885
US-20060293256-A1 Remedy or preventive for kidney disease and method of diagnosing kidney disease PACSIN2, CSNK2A2, CSNK2A3 ALDH1A1 3592/4885TDP1 3045/4885TSHR 4196/4885
US-20010020309-A1 Compositions for dyeing keratinous fibres, containing pyrrolo-azoles; use as couplers; method of dyeing KRT18, KAT7, CBR3 ALDH1A1 944/4885TDP1 3273/4885TSHR 1356/4885
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing KRT18, ZYX, CBR3 ALDH1A1 650/4885TDP1 3126/4885TSHR 1655/4885
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent KRT18, PPOX, NOX5 ALDH1A1 589/4885TDP1 610/4885TSHR 4250/4885

“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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