SCHEMBL19009875

SCHEMBL19009875

O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccccc3c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HPRT1 P00492 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
WDR5 P61964 1/20 0.33
PAX8 Q06710 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL19444911 0.97 ALDH1A1 (0.37) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL11991055 0.87 CA2 (0.38) ALDH1A1TDP1NPSR1KDM4EL3MBTL1
SCHEMBL11991106 0.81 NPSR1 (0.40) ALDH1A1NPSR1KDM4EKMT2ALMNA
SCHEMBL20108847 0.80 LMNA (0.52) ALDH1A1TSHRHSD17B10TDP1ATM
SCHEMBL11962386 0.78 PARP1 (0.42) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL11962387 0.78 PARP1 (0.42) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL20108851 0.77 PARP1 (0.44) ALDH1A1NPSR1RAB9AKDM4EKMT2A
SCHEMBL11990948 0.77 LMNA (0.52) ALDH1A1TSHRHSD17B10TDP1ATM
SCHEMBL16401204 0.77 MGAM (0.48) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL30382206 0.77 MGAM (0.48) ALDH1A1NPC1RAB9AKDM4EKMT2A

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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ALDH1A1 163/4885CYP2A6 1527/4885TSHR 4582/4885

“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.