SCHEMBL4244296

SCHEMBL4244296

C=CCN(C(=O)/C=C/C(=O)O)c1ccc(Cl)cc1C(=O)c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RORC P51449 3/20 0.41
RORB Q92753 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL4244304 1.00 TSHR (0.44) TSHRMEN1KMT2ARORCRORB
SCHEMBL4242987 0.91 ALDH1A1 (0.39) TSHRMEN1KMT2ARORCRORB
SCHEMBL4242990 0.91 ALDH1A1 (0.39) TSHRMEN1KMT2ARORCRORB
SCHEMBL6002288 0.90 MEN1 (0.43) TSHRMEN1KMT2ARORCRORB
SCHEMBL4236903 0.76 FDFT1 (0.50) ALDH1A1TDP1
SCHEMBL4236896 0.76 FDFT1 (0.50) ALDH1A1TDP1
SCHEMBL10713056 0.72 RORC (0.56) TSHRMEN1KMT2ARORCRORB
SCHEMBL4236612 0.71 PPARG (0.51) RORCRORBALDH1A1GABRPGABRD
SCHEMBL6953363 0.71 GABRP (0.52) RORBALDH1A1GABRPGABRDGABRA1
SCHEMBL8785645 0.69 KCNMA1 (0.63) TSHRMEN1KMT2ARORCRORB

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-20090215743-A1 Tricyclic benzazepine derivatives and their use BAYER HEALTHCARE AG (DE) 2009-08-27 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-20090215743-A1 Tricyclic benzazepine derivatives and their use CACNA1I, HDAC3, AADAC TSHR 2095/4885MEN1 3901/4885KMT2A 954/4885

“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.