SCHEMBL18813656

SCHEMBL18813656

O=C(/C=C\O)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.59
BCAT2 O15382 1/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNB2 P17787 3/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CHRNA4 P43681 3/20 0.49
HNF4A P41235 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HSP90AA1 P07900 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 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
SCHEMBL9091018 0.86 GPR52 (0.47) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL9091138 0.86 GPR52 (0.47) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL28340415 0.85 GPR52 (0.59) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL18226975 0.82 TUBB4A (0.62) GPR52TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27574463 0.81 MAPT (0.64) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL18813647 0.81 FOLH1 (0.47) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL7864455 0.80 BCAT2 (0.59) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL28993895 0.79 RECQL (0.59) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL31521259 0.78 BCAT2 (0.57) GPR52BCAT2MEN1KMT2ASMN1; SMN2
SCHEMBL5180034 0.78 BCAT2 (0.57) GPR52BCAT2MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 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-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS ACACB, ACACA, ZKSCAN2 GPR52 3387/4885BCAT2 939/4885MEN1 3499/4885

“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.