SCHEMBL20174300

SCHEMBL20174300

c1cncc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3oc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
PDK2 Q15119 3/20 0.41
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
USP1 O94782 1/20 0.38
USP8 P40818 1/20 0.38
OTUB1 Q96FW1 1/20 0.38
USP36 Q9P275 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 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
SCHEMBL20174418 0.82 PDK2 (0.43) CYP11B1PDK2CYP11B2ALDH1A1RAB9A
SCHEMBL18590033 0.81 PDK2 (0.42) CYP11B1PDK2CYP11B2ALDH1A1RAB9A
SCHEMBL20174270 0.81 ALDH1A1 (0.41) CYP11B1PDK2ALDH1A1RAB9AKDM4E
SCHEMBL20174716 0.80 ALDH1A1 (0.40) CYP11B1PDK2ALDH1A1RAB9AKDM4E
SCHEMBL20174289 0.79 PDK2 (0.38) CYP11B1PDK2ALDH1A1RAB9AKDM4E
SCHEMBL20174207 0.78 MAPT (0.36) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL20174739 0.77 NTRK1 (0.40) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL20198969 0.76 ABCG2 (0.33) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL22326528 0.76 ALDH1A1 (0.39) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL20174339 0.76 ACACA (0.39) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG CYP11B1 618/4885PDK2 651/4885CYP11B2 397/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CYP11B1 618/4885PDK2 651/4885CYP11B2 397/4885

“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.