SCHEMBL4641824

SCHEMBL4641824

CC(C)=CC(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
LMNA P02545 4/20 0.43
ADRA2C P18825 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
HIF1A Q16665 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL31190067 0.87 PTGS2 (0.50) TSHRCYP3A4CYP2D6MEN1KMT2A
SCHEMBL18943205 0.86 TRPA1 (0.44) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL11526523 0.80 LMNA (0.41) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL13460568 0.80 TRPA1 (0.44) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL29016298 0.80 LMNA (0.41) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL7765727 0.80 LMNA (0.42) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL11960067 0.79 STAT3 (0.42) LMNAHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL10894861 0.79 HPGD (0.40) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL10894864 0.79 HPGD (0.40) TRPA1LMNAADRA2CKDM4EADRA2A
SCHEMBL3433198 0.79 AKR1C3 (0.48) TRPA1LMNAHPGDMAPK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 US disclosed
EP-1797025-B1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO KG (DE) 2008-08-13 EP disclosed
EP-1797025-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT Symrise GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006035010-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO. KG (DE) 2006-04-06 WO disclosed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO 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 (2 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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP TRPA1 4574/4885LMNA 1583/4885ADRA2C 4802/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP TRPA1 4574/4885LMNA 1583/4885ADRA2C 4802/4885

“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.