SCHEMBL3206030

SCHEMBL3206030

C=CCc1cc(C=O)cc(OCC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
POLB P06746 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 10/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 4/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL15553080 0.86 KDM4E (0.75) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL1001391 0.85 KDM4E (0.74) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL8160985 0.83 KDM4E (0.71) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL1004449 0.82 KDM4E (0.69) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL5784944 0.81 KDM4E (0.68) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL1001855 0.81 KDM4E (0.66) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL8585914 0.80 KDM4E (0.66) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL3576792 0.79 ALDH1A1 (0.67) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL25138713 0.78 KMT2A (0.69) KDM4EPOLBMEN1KMT2AGAA
SCHEMBL1002692 0.76 KDM4E (0.61) KDM4EPOLBMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393367-B2 Agent for dyeing keratin-based fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-07-01 US claimed
US-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-08 US claimed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2007019931-A1 AGENT FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-22 WO claimed
WO-2006119819-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US disclosed
EP-2054012-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2009-05-06 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
WO-2008028861-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2008-03-13 WO disclosed
EP-1879660-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
WO-2007019931-A1 AGENT FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-22 WO 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 (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-20080104772-A1 AGENT FOR DYEING KERATIN-BASED FIBERS KRT18, KAT5, H1-5 KDM4E 1661/4885POLB 2506/4885MEN1 4670/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 KDM4E 1659/4885POLB 2891/4885MEN1 3588/4885

“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.