SCHEMBL3133543

SCHEMBL3133543

C=CCOc1ccc(C=O)cc1OCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
TACR2 P21452 1/20 0.58
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 5/20 0.53
LMNA P02545 1/20 0.53
FDPS P14324 1/20 0.51
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.46

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
SCHEMBL3464451 0.92 FDPS (0.54) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL493684 0.88 ALDH1A1 (0.73) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL30159697 0.88 ALDH1A1 (0.73) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL29652045 0.86 FDPS (0.71) ALDH1A1HPGDTDP1MAPTNPSR1
SCHEMBL1748511 0.86 ALDH1A1 (0.66) ALDH1A1HPGDTDP1MAPTNPSR1
SCHEMBL1396839 0.86 FDPS (0.71) ALDH1A1HPGDTDP1MAPTNPSR1
SCHEMBL25192060 0.85 ALDH1A1 (0.59) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL25187353 0.85 ALDH1A1 (0.59) ALDH1A1TACR2HPGDTDP1L3MBTL1
SCHEMBL30485565 0.85 ALDH1A1 (0.59) ALDH1A1TACR2HPGDTDP1L3MBTL1
Ethyl Vanillin SCHEMBL28478773 0.82 ALDH1A1 (0.78) ALDH1A1HPGDTDP1L3MBTL1MAPT

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
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US disclosed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 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 (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-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS KRT18, KAT5, H1-5 ALDH1A1 1093/4885TACR2 268/4885HPGD 1814/4885

“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.