SCHEMBL5983748

SCHEMBL5983748

C=CC/C=C(\C)C(=O)OCC=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTP4A3 O75365 2/20 0.35
PTP4A1 Q93096 2/20 0.35
PTP4A2 Q12974 1/20 0.35
MAPT P10636 4/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL666513 1.00 CYP3A4 (0.40) CYP3A4TSHRALDH1A1HSD17B10TDP1
Ammonia Solution, Strong SCHEMBL7152100 0.98 CYP3A4 (0.39) CYP3A4TSHRALDH1A1HSD17B10TDP1
Succinic Acid SCHEMBL28371751 0.91 TSHR (0.37) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL6050185 0.84 TSHR (0.42) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL5696068 0.84 TSHR (0.38) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL17311783 0.84 TSHR (0.38) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL410007 0.84 TSHR (0.42) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL410006 0.84 CYP2D6 (0.45) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL28797840 0.84 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL29409561 0.83 TSHR (0.37) CYP3A4TSHRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022139687-A1 SOOT DISPERSANT COMPRISING BLOCK COPOLYMER AND LUBRICANT COMPOSITION CONTAINING THE SAME CRODA SINGAPORE PTE LIMITED (SG) 2022-06-30 WO disclosed
EP-1570837-B1 DENDRITE ELONGATION INHIBITOR FOR MELANOCYTE AND SKIN PREPARATION FOR EXTERNAL USE CONTAINING THE SAME POLA CHEM IND INC (JP) 2013-09-11 EP disclosed
US-7141601-B2 Dendrite elongation inhibitor for melanocyte and skin preparation for external use containing the same POLA CHEMIOCAL INDUSTRIES INC. (JP) 2006-11-28 US disclosed
US-20050288361-A1 Dendrite elongation inhibitor for melanocyte and skin preparation for external use containing the same POLA CHEMICAL INDUSTRIES INC. (JP) 2005-12-29 US disclosed
EP-1570837-A1 DENDRITE ELONGATION INHIBITOR FOR MELANOCYTE AND SKIN PREPARATION FOR EXTERNAL USE CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2005-09-07 EP disclosed
EP-1570838-A1 DENDRITE ELONGATION INHIBITOR FOR MELANOCYTE AND SKIN PREPARATION FOR EXTERNAL USE CONTAINING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2005-09-07 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 (1 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-20050288361-A1 Dendrite elongation inhibitor for melanocyte and skin preparation for external use containing the same TYR, MAP2, KRT18 CYP3A4 4827/4885TSHR 2450/4885ALDH1A1 2237/4885

“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.