SCHEMBL22945693

SCHEMBL22945693

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2ccc3c(c2)oc2ccccc23)c2oc3ccccc3c2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
ALOX5 P09917 1/20 0.32
PDE6D O43924 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL22944892 0.94 ALOX5 (0.32) PRKDCALOX5PDE6DTSHRNPC1
SCHEMBL22945198 0.93 PRKDC (0.38) PRKDCALOX5PDE6DTSHR
SCHEMBL22945324 0.93 NPC1 (0.35) PRKDCALOX5PDE6DTSHRNPC1
SCHEMBL22945321 0.91 PDE6D (0.38) ALOX5PDE6DTSHRCYP1A2CYP2C9
SCHEMBL22945680 0.91 TSHR (0.36) PDE6DTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL22945630 0.89 NPC1 (0.34) PRKDCALOX5PDE6DTSHRNPC1
SCHEMBL22944891 0.89 HSD17B10 (0.33) TSHRNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22946034 0.89 ALOX5 (0.35) PRKDCALOX5TSHRNPC1CYP1A2
SCHEMBL22945197 0.88 ALOX5 (0.34) PRKDCALOX5PDE6DTSHRNPC1
SCHEMBL22945327 0.88 NPC1 (0.32) TSHRNPC1CYP1A2CYP2C9CYP2C19

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
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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 (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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 PRKDC 4810/4885ALOX5 386/4885PDE6D 342/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PRKDC 4810/4885ALOX5 386/4885PDE6D 342/4885

“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.