SCHEMBL19949804

SCHEMBL19949804

C=CCOP(=O)(O)OCC=C.Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
BTN3A1 O00481 2/20 0.41
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LSS P48449 1/20 0.33

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
SCHEMBL174096 0.76 BTN3A1 (0.40) ALDH1A1BTN3A1TSHRCYP3A4
Benzene SCHEMBL11408934 0.74 TSHR (0.43) ALDH1A1BTN3A1TSHRCYP3A4CYP2C19
SCHEMBL10625461 0.74 BTN3A1 (0.39) BTN3A1TSHRCYP3A4
Ammonia Solution, Strong SCHEMBL8023938 0.74 BTN3A1 (0.39) BTN3A1TSHRCYP3A4
SCHEMBL11677557 0.74 BTN3A1 (0.39) BTN3A1TSHRCYP3A4
SCHEMBL366766 0.71 PPARD (0.39) BTN3A1TSHR
Benzyl Bromide SCHEMBL19949806 0.71 TSHR (0.51) ALDH1A1BTN3A1TSHRCYP3A4
SCHEMBL28486412 0.70 CYP3A4 (0.60) ALDH1A1KMT2ALMNATSHRMEN1
Ammonia Solution, Strong SCHEMBL790445 0.70 PPARD (0.38) BTN3A1TSHR
Phosphonic Acid SCHEMBL10534004 0.69 BTN3A1 (0.35) BTN3A1

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
EP-3510035-B1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES PROMEGA CORP (US) 2021-04-07 EP disclosed
US-10316070-B2 Dual protected pro-coelenterazine substrates PROMEGA CORPORATION (US) 2019-06-11 US disclosed
US-20180072781-A1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-03-15 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-10316070-B2 Dual protected pro-coelenterazine substrates SI, GLB1, CTRL ALDH1A1 3380/4885BTN3A1 4629/4885KMT2A 3495/4885
US-20180072781-A1 DUAL PROTECTED PRO-COELENTERAZINE SUBSTRATES SI, GLB1, PREP ALDH1A1 3920/4885BTN3A1 4394/4885KMT2A 2976/4885

“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.