SCHEMBL19640183

SCHEMBL19640183

COCCCOc1cc(C=O)c(Br)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.70
LMNA P02545 3/20 0.59
MAPT P10636 6/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
FDPS P14324 1/20 0.43
ERN1 O75460 2/20 0.42
KDM1A O60341 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 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
SCHEMBL19640177 0.92 PRKDC (0.72) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL17529474 0.88 PRKDC (0.70) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL29976495 0.84 PRKDC (0.74) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL25692518 0.84 PRKDC (0.74) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL19640196 0.84 LMNA (0.50) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL515642 0.83 PRKDC (1.00) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL3371154 0.83 ALDH1A1 (0.49) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL1620382 0.83 LMNA (0.87) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL14835649 0.83 LMNA (0.87) PRKDCLMNAMAPTALDH1A1HPGD
SCHEMBL3369827 0.82 ALDH1A1 (0.62) PRKDCLMNAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100052-B2 2018-10-16 US disclosed
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. 2017-11-30 US disclosed
WO-2017205115-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2017-11-30 WO disclosed
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. 2017-11-30 US disclosed
WO-2017205115-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2017-11-30 WO 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-10100052-B2 HAVCR2, PYGL, FABP1 PRKDC 3625/4885LMNA 2295/4885MAPT 2634/4885
US-20170342068-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION HAVCR2, PYGL, OAT PRKDC 3905/4885LMNA 2667/4885MAPT 3056/4885

“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.