SCHEMBL19978147

SCHEMBL19978147

COc1ccc2c(c1)-c1ccccc1C2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.64
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PGR P06401 1/20 0.48
HTR2C P28335 2/20 0.47
HTR2A P28223 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
GPR3 P46089 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NQO2 P16083 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29706055 0.90 HTR2C (0.53) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL20208898 0.90 HTR2C (0.53) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL12393746 0.89 PDK2 (0.59) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL29853561 0.89 PDK2 (0.59) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL27392579 0.87 PDK2 (0.66) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL30829197 0.87 PDK2 (0.66) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL17782982 0.85 PDK2 (0.50) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL17789544 0.82 PDK2 (0.47) PDK2KDM4EALDH1A1ALOX15TDP1
SCHEMBL31390774 0.82 MAPT (0.50) PDK2KDM4EALDH1A1TDP1PGR
SCHEMBL19421338 0.81 KMT2A (0.55) PDK2KDM4EALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478604-B Condensed-cyclic compound containing two boron atoms and one or three oxygen atoms and organic electroluminescent device 中国科学院长春应用化学研究所 2024-02-13 CN disclosed
CN-114478604-A Fused ring compound containing two boron atoms and one or three oxygen group atoms, and organic electroluminescent device 中国科学院长春应用化学研究所 2022-05-13 CN disclosed
US-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM, LTD. (KR) 2018-03-22 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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME PCBP1, SOD1, PCLAF PDK2 1324/4885KDM4E 2644/4885ALDH1A1 2034/4885

“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.