SCHEMBL1986470

SCHEMBL1986470

Cc1ccc(OC(F)F)c(C(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 8/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ SYK P43405 1/20 0.34

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
SCHEMBL25699413 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL21710001 0.86 ACHE (0.38) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL16954278 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL1990091 0.82 ACHE (0.56) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14345864 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6876872 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3412443 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10052629 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
Ammonia Solution, Strong SCHEMBL19664447 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16952605 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 — — US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 — — WO disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 — — US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 — — 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 (2 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS ALDH1A1 2719/4885MEN1 1882/4885KMT2A 979/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS ALDH1A1 3199/4885MEN1 2379/4885KMT2A 1020/4885

“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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