SCHEMBL17518764

SCHEMBL17518764

C=C(/C=C(CC(C)C)\C(=C/NC)CC(C)C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP3A4 P08684 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16627960 0.94 MAPT (0.33) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL17541750 0.89 MAPT (0.33) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16603162 0.89 MAPT (0.35) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16603137 0.82 F2R (0.37) SMN1; SMN2ALDH1A1HPGDL3MBTL1MEN1
SCHEMBL17518763 0.81 ATM (0.35) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL16603263 0.81 LMNA (0.32) LMNAHPGDCYP3A4CYP2D6CYP2C19
SCHEMBL17759091 0.81 LMNA (0.32) LMNAHPGDCYP3A4CYP2D6CYP2C19
SCHEMBL16603133 0.77 MAOA (0.31) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16603268 0.77 ATM (0.31) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16603254 0.77 F2R (0.36) MAOAMAOB

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
US-20170012223-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-01-12 — — US disclosed
US-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-09-08 — — US disclosed
US-20160049599-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-02-18 — — 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 (3 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-20160049599-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SRSF6, SRSF1, DBF4 MAPT 4848/4885SMN1; SMN2 2979/4885LMNA 444/4885
US-20170012223-A1 Organic Electroluminescent Materials and Devices EML4, MT-ND4L, MT-ND4 MAPT 1244/4885SMN1; SMN2 4000/4885LMNA 2180/4885
US-20160260913-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EML4, TYR, L1CAM MAPT 349/4885SMN1; SMN2 4357/4885LMNA 2703/4885

“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.

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