SCHEMBL16623977

SCHEMBL16623977

CC(C)Oc1ccc(C(O)C(CO)Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
PARP10 Q53GL7 1/20 0.38
BCL2 P10415 1/20 0.37
MDM2 Q00987 1/20 0.37
MCL1 Q07820 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RAB9A P51151 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACACB O00763 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NLRP1 Q9C000 1/20 0.35

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
SCHEMBL143873 0.78 ALDH1A3 (0.52) POLBKMT2ACNR2PARP10BCL2
SCHEMBL16625696 0.76 ALDH1A1 (0.49) KMT2ASMN1; SMN2RAB9ACYP1A2GAA
SCHEMBL28596486 0.76 ACP3 (0.44) POLBCNR2CYP1A2GAACYP2D6
SCHEMBL29080969 0.75 SMN1; SMN2 (0.44) POLBKMT2ASMN1; SMN2RXRARXRB
SCHEMBL6055387 0.75 KMT2A (0.48) POLBKMT2ACNR2PARP10ALDH1A3
SCHEMBL2516489 0.74 KMT2A (0.52) POLBKMT2ACNR2PARP10ALDH1A3
SCHEMBL1078626 0.74 KDM4E (0.41) KMT2ACYP2D6CYP2C19ALDH1A1
SCHEMBL9355490 0.73 SMN1; SMN2 (0.45) POLBKMT2ASMN1; SMN2RXRARXRB
SCHEMBL20738465 0.73 ABCB11 (0.53) POLBKMT2ASMN1; SMN2CNR2PARP10
SCHEMBL18715510 0.73 ACACB (0.51) POLBKMT2ACNR2PARP10BCL2

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-9518076-B2 Apparatus and process for preparing reactive lignin with high yield from plant biomass for production of fuels and chemicals WASHINGTON STATE UNIVERSITY (US) 2016-12-13 US disclosed
US-20150099868-A1 APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS WASHINGTON STATE UNIVERSITY (US) 2015-04-09 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-20150099868-A1 APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS HAAO, HAO2, HAO1 POLB 311/4885KMT2A 2644/4885SMN1; SMN2 4785/4885

“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.