SCHEMBL2999427

SCHEMBL2999427

Cc1cc(C(C)(C)c2cc(C)c(OCCCO)c(C)c2)cc(C)c1OCCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
ESR1 P03372 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SCN2A Q99250 2/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SCN8A Q9UQD0 1/20 0.33

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
SCHEMBL347042 0.90 HTR1A (0.43) ALDH1A1KDM4EHTR1AMEN1KMT2A
SCHEMBL12749079 0.82 THRA (0.42) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL25690903 0.82 HTR1A (0.53) ALDH1A1KDM4EHTR1AMEN1KMT2A
SCHEMBL3002181 0.81 SMN1; SMN2 (0.37) ALDH1A1KDM4EMEN1KMT2AS1PR1
SCHEMBL10990403 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ATHRA
SCHEMBL13964548 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHTR1AMEN1KMT2A
SCHEMBL13964547 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHTR1AMEN1KMT2A
SCHEMBL13974191 0.79 HTR1A (0.36) ALDH1A1KDM4EHTR1AMEN1KMT2A
SCHEMBL14398594 0.79 HTR1A (0.36) ALDH1A1KDM4EHTR1AS1PR1S1PR3
SCHEMBL11703645 0.78 KDM4E (0.40) ALDH1A1KDM4EHTR1AMEN1KMT2A

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
EP-2190812-B1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2015-12-02 EP disclosed
US-8426490-B2 Methacrylate based monomers containing a urethane linkage, process for production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-23 US disclosed
US-20100197824-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2010-08-05 US disclosed
EP-2190812-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2010-06-02 EP disclosed
WO-2009042574-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-04-02 WO disclosed
EP-2042486-A1 Methacrylate Based Monomers containing a Urethane Linkage, Process for Production and Use thereof 3M Innovative Properties Company (US) 2009-04-01 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-20100197824-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF PYM1, B2M, MACF1 ALDH1A1 2410/4885KDM4E 122/4885HTR1A 2530/4885

“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.