SCHEMBL3689405

SCHEMBL3689405

COC(C)(C)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ELANE P08246 1/20 0.46
LMNA P02545 1/20 0.44
SRD5A2 P31213 3/20 0.41
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
CES1 P23141 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
OPRK1 P41145 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL23613753 0.93 KMT2A (0.44) KMT2AELANELMNASRD5A2PLA2G10
SCHEMBL3690879 0.80 KMT2A (0.46) KMT2AELANELMNASRD5A2PLA2G10
SCHEMBL10712634 0.80 TDP1 (0.52) KMT2ALMNASRD5A2CA2CES1
SCHEMBL10712337 0.80 RARB (0.54) KMT2AALDH1A1MEN1THRATHRB
SCHEMBL3689915 0.78 HPGD (0.52) KMT2AELANESRD5A2CA1CA2
SCHEMBL18678827 0.78 TPMT (0.45) CA1CA2CES1
SCHEMBL6676984 0.78 PPARA (0.49) KMT2AELANELMNASRD5A2CA1
SCHEMBL11299913 0.78 CES1 (0.46) KMT2ACA1CA2CES1NPC1
SCHEMBL20135443 0.78 CA1 (0.55) KMT2ACA1CA2CA12CA9
SCHEMBL4425629 0.78 CES1 (0.36) KMT2AELANECES1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
EP-1523506-B1 NEW DIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-09-12 EP disclosed
EP-1523506-B1 NEW DIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-09-12 EP disclosed
US-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
US-7723397-B2 ethylenically unsaturated aminoacrylates; overprinting; for production of scratch-resistant durable surface CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20050239971-A1 New difunctional photoinitators IGM GROUP B.V. (NL) 2005-10-27 US disclosed
EP-1523506-A1 NEW DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2005-04-20 EP disclosed
WO-2004009651-A1 NEW DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-01-29 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-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 KMT2A 1613/4885ELANE 4094/4885LMNA 412/4885
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 KMT2A 1612/4885ELANE 3915/4885LMNA 408/4885

“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.