SCHEMBL9998736

SCHEMBL9998736

C=C(C)C(=O)Oc1ccc(OC2CCC(CC)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
ELANE P08246 1/20 0.44
CYP19A1 P11511 1/20 0.39
ACACB O00763 4/20 0.38
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CHEK2 O96017 1/20 0.37
PARP10 Q53GL7 1/20 0.37
EPHX2 P34913 2/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CCR4 P51679 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9998844 0.84 KMT2A (0.48) KMT2AATMELANEACACBPARP10
SCHEMBL9998733 0.82 ENPP2 (0.42) KMT2AELANECYP19A1LMNAMAPT
SCHEMBL14727673 0.80 KMT2A (0.44) KMT2AATMELANECYP19A1
SCHEMBL9999056 0.79 KMT2A (0.46) KMT2AATMELANECYP19A1ACACB
SCHEMBL14727672 0.78 KMT2A (0.40) KMT2AATMELANECYP19A1MAPT
SCHEMBL14727702 0.76 KMT2A (0.41) KMT2AATMELANEMAPT
SCHEMBL14907470 0.76 PARP15 (0.47) KMT2AATMELANEACACBPARP10
SCHEMBL9998834 0.76 KMT2A (0.43) KMT2AATMELANEACACBEPHX2
Butane SCHEMBL15309676 0.75 ELANE (0.61) KMT2AATMELANELMNAMAPT
SCHEMBL56436 0.74 ELANE (0.69) KMT2AATMELANEKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017918-B2 Monomer, polymer, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-20110294070-A1 MONOMER, POLYMER, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-01 US 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-20110294070-A1 MONOMER, POLYMER, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS PARG, PCNA, POLH KMT2A 873/4885ATM 4312/4885ELANE 1171/4885

“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.