SCHEMBL16625696

SCHEMBL16625696

COc1ccc(C(O)C(CO)Oc2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
ACHE P22303 1/20 0.47
AOC3 Q16853 2/20 0.41
ABCB11 O95342 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
RELA Q04206 1/20 0.40
CYP19A1 P11511 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL28596486 0.88 ACP3 (0.44) ALDH1A1AOC3ABCB11PPARGPPARD
SCHEMBL19728202 0.81 ACHE (0.65) ALDH1A1MAPTACHEAOC3RELA
SCHEMBL15518843 0.79 PPARG (0.48) ALDH1A1AOC3PPARGPPARDPPARA
SCHEMBL8805726 0.77 ACHE (0.65) ALDH1A1MAPTACHEAOC3RELA
SCHEMBL28973547 0.77 ACHE (0.65) ALDH1A1MAPTACHEAOC3RELA
SCHEMBL16623977 0.76 POLB (0.39) ALDH1A1MAPTGAACYP1A2KMT2A
SCHEMBL6272410 0.76 PPARG (0.62) ALDH1A1MAPTAOC3ABCB11PPARG
SCHEMBL3695690 0.73 CA1 (0.58) ALDH1A1ACHEAOC3CYP1A2TSHR
SCHEMBL11938484 0.73 CA1 (0.58) ALDH1A1ACHEAOC3CYP1A2TSHR
SCHEMBL19728209 0.73 CA1 (0.58) ALDH1A1ACHEAOC3CYP1A2TSHR

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 ALDH1A1 1709/4885MAPT 904/4885ACHE 3657/4885

“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.