SCHEMBL15910263

SCHEMBL15910263

C/C(=C/S)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL18621223 0.81 TSHR (0.43) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL9493573 0.81 TSHR (0.43) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL9493577 0.81 TSHR (0.43) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL16257948 0.79 TSHR (0.41) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL14950438 0.77 MAOA (0.40) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL18619735 0.77 MAOA (0.40) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL18458131 0.76 KMT2A (0.41) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL24398490 0.75 MAOA (0.40) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL16257947 0.74 HPGD (0.41) TSHRACHESMN1; SMN2HPGDERCC5
SCHEMBL20942904 0.74 SMN1; SMN2 (0.41) TSHRSMN1; SMN2HPGDERCC5FEN1

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-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2015-12-03 US disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 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-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB TSHR 3012/4885ACHE 1799/4885SMN1; SMN2 646/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 TSHR 4827/4885ACHE 4111/4885SMN1; SMN2 2456/4885

“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.