SCHEMBL21571920

SCHEMBL21571920

C=Cc1cc(CC(C)(C)C)ccc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
TACR2 P21452 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 1/20 0.34
CALM1 P0DP23 2/20 0.34
CNR2 P34972 1/20 0.34
P2RX3 P56373 1/20 0.33
NPC1 O15118 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
SCHEMBL18556285 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CYP2D6THRA
SCHEMBL12775614 0.80 CALM1 (0.46) ALDH1A1KMT2AMEN1CYP2D6TSHR
SCHEMBL14218923 0.77 MAPT (0.54) ALDH1A1KMT2AMEN1THRBTSHR
SCHEMBL12775648 0.76 CALM1 (0.50) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL12775657 0.76 CALM1 (0.58) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL15177279 0.76 KDM1A (0.45) ALDH1A1MAPTKDM4EGAAESR1
SCHEMBL8173931 0.75 NQO1 (0.46) ALDH1A1KMT2AMEN1CYP2D6TSHR
SCHEMBL15172350 0.75 L3MBTL1 (0.47) ALDH1A1KMT2AMEN1TSHRHPGD
SCHEMBL4044027 0.73 HPGD (0.64) ALDH1A1KMT2AMEN1CYP2D6TSHR
SCHEMBL16957387 0.73 TSHR (0.64) ALDH1A1KMT2AMEN1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479861-B2 Catalytic carbonylation catalysts and methods NOVOMER, INC. (US) 2019-11-19 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-10479861-B2 Catalytic carbonylation catalysts and methods CBR3, CBR1, EPHX2 ALDH1A1 181/4885KMT2A 954/4885MEN1 2827/4885

“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.