SCHEMBL5126473

SCHEMBL5126473

C=Cc1ccc(C=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.38
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
ALDH1A3 P47895 2/20 0.37
TYR P14679 2/20 0.36
TRPA1 O75762 1/20 0.36
ERN1 O75460 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL823127 0.85 ALDH1A1 (0.50) ALDH1A1TSHRTDP1NPC1PKM
SCHEMBL29908313 0.85 TDP1 (0.46) ALDH1A1TSHRTDP1TP53PKM
SCHEMBL7086584 0.85 TDP1 (0.46) ALDH1A1TSHRTDP1TP53PKM
SCHEMBL10246772 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTDP1NPC1RAB9A
Water SCHEMBL20239044 0.83 TDP1 (0.45) ALDH1A1TSHRTDP1TP53PKM
SCHEMBL31511495 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TP53NPC1
SCHEMBL4734817 0.78 KDM4E (0.42) ALDH1A1TDP1TP53RAB9ATYR
SCHEMBL17345594 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTP53NPC1PKM
SCHEMBL17345601 0.77 ALDH1A1 (0.39) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL21903040 0.76 TP53 (0.39) ALDH1A1TDP1TP53PKMTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US claimed
EP-0189275-B1 METHOD FOR MANUFACTURE OF FLUORINE-CONTAINING AROMATIC DERIVATIVES NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-10-18 EP claimed
EP-0189275-A2 Method for manufacture of fluorine-containing aromatic derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-07-30 EP claimed
WO-2025049767-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
CN-117285769-A Reversible crosslinked polyethylene cable material and preparation method thereof 中国石油天然气股份有限公司 2023-12-26 CN disclosed
WO-2023240938-A1 REVERSIBLY CROSSLINKED POLYETHYLENE CABLE MATERIAL AND PREPARATION METHOD THEREFOR 中国石油天然气股份有限公司 2023-12-21 WO disclosed
US-20150361053-A1 2 AMINO-3,4-DIHYDRCQUINAZOLINE DERIVATIVES AND THE USE THEREOF AS CATHEPSIN D INHIBITORS MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US disclosed
EP-0189275-B1 METHOD FOR MANUFACTURE OF FLUORINE-CONTAINING AROMATIC DERIVATIVES NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-10-18 EP disclosed
EP-0189275-A2 Method for manufacture of fluorine-containing aromatic derivatives NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-07-30 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 419/4885TSHR 1807/4885TDP1 1435/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 296/4885TSHR 1900/4885TDP1 1296/4885
US-20150361053-A1 2 AMINO-3,4-DIHYDRCQUINAZOLINE DERIVATIVES AND THE USE THEREOF AS CATHEPSIN D INHIBITORS CTSD, CTSZ, CTSK ALDH1A1 973/4885TSHR 4711/4885TDP1 1569/4885

“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.