SCHEMBL20130955

SCHEMBL20130955

C=CC1=C(C=C)C(c2ccccc2)(c2ccccc2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.34
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL19152014 0.87 MEN1 (0.38) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL22580722 0.87 MEN1 (0.40) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL20967554 0.85 MEN1 (0.34) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21120326 0.85 MEN1 (0.34) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL22435826 0.85 KDM4E (0.37) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL19752428 0.84 KDM4E (0.36) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL13645518 0.82 KDM4E (0.32) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL24796724 0.81 MEN1 (0.39) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL22882196 0.81 MLNR (0.34) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL21868089 0.78 PDK2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220093873-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2022-03-24 US disclosed
US-10745362-B2 Heterocyclic compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2020-08-18 US disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
US-20180127385-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM LTD. (KR) 2018-05-10 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 (4 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 MEN1 755/4885KMT2A 1622/4885LMNA 4627/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 MEN1 755/4885KMT2A 1622/4885LMNA 4627/4885
US-10745362-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CRY2, PER2 MEN1 847/4885KMT2A 714/4885LMNA 3362/4885
US-20180127385-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 MEN1 847/4885KMT2A 714/4885LMNA 3362/4885

“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.