SCHEMBL598587

SCHEMBL598587

CCCC1CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
FYN P06241 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
TLR4 O00206 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL6130370 1.00 CYP1A2 (0.40) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL10341950 1.00 CYP1A2 (0.40) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8215590 0.92 TLR4 (0.38) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL11035007 0.92 TLR4 (0.38) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL9501512 0.92 TLR4 (0.38) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL4802597 0.92 TLR4 (0.38) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8679223 0.92 TLR4 (0.38) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL5691374 0.87 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL129995 0.87
SCHEMBL11012872 0.86 TLR4 (0.36) CYP1A2LMNAMAPK1HTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO claimed
WO-2018048933-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR NOXELL CORPORATION (US) 2018-03-15 WO claimed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP claimed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO claimed
US-20260049264-A1 CHEMICAL SOLUTION AND CHEMICAL SOLUTION-HOUSING ARTICLE FUJIFILM CORP (JP) 2026-02-19 US disclosed
CN-119678921-A Cyclohexene derivative with attraction effect on carpiotosia borer as well as preparation method and application thereof 华东理工大学 2025-03-25 CN disclosed
WO-2024237109-A1 CHEMICAL SOLUTION AND CHEMICAL-SOLUTION-ACCOMMODATING BODY 富士フイルム株式会社 2024-11-21 WO disclosed
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
US-20230192712-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2023-06-22 US disclosed
US-10403821-B2 Method of making an electrode CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO disclosed
WO-1999000347-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1999000377-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047995-A1 ORTHOCARBONATE PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
US-5741630-A ACID-CATALYZED THERMAL DECOMPOSITION OF SECONDARY ACID GENERATOR AND FORMATION OF SECOND ACID; COPPER COMPOUND AND REACTIVE MATERIAL USED TO DECOMPOSE SUPERACID PRECURSOR POLAROID CORPORATION (US) 1998-04-21 US disclosed
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 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 (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-20260049264-A1 CHEMICAL SOLUTION AND CHEMICAL SOLUTION-HOUSING ARTICLE OR10J3, PPM1D, PPM1F CYP1A2 300/4885LMNA 2845/4885MAPK1 758/4885
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CYP1A2 2968/4885LMNA 3406/4885MAPK1 245/4885
US-20230192712-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CYP1A2 2965/4885LMNA 3376/4885MAPK1 239/4885

“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.