SCHEMBL22015704

SCHEMBL22015704

c1ccc2c(-c3cccc4ncccc34)cccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 5/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
P2RX7 Q99572 1/20 0.46
GPR3 P46089 1/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL4541414 0.92 CYP1A2 (0.59) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL14461196 0.90 CYP1A2 (0.57) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL198641 0.89 MAPT (0.64) CYP3A4ALDH1A1KDM4EMAPTLMNA
SCHEMBL17345163 0.89 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL7918743 0.88 MAPT (0.56) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL13854901 0.83 ERN1 (0.49) CYP3A4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL17932554 0.82 CA12 (0.51) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL24621926 0.82 MAPT (0.54) CYP3A4ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL4067917 0.81 KDM4E (0.57) CYP3A4ALDH1A1KDM4EMAPTLMNA
SCHEMBL27752837 0.81 CA12 (0.49) CYP3A4KDM4EMAPTHSD17B10GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680059-B2 Organic mixture and application thereof in organic electronic devices GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2023-06-20 US disclosed
US-11164839-B2 Package structure and method of manufacturing the same TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2021-11-02 US disclosed
US-20200317646-A1 ORGANIC MIXTURE AND APPLICATION THEREOF IN ORGANIC ELECTRONIC DEVICES GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-10-08 US disclosed
US-20200185615-A1 ORGANIC CHEMICAL COMPOUND, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC COMPONENT GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-06-11 US disclosed
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP 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 (3 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-20200317646-A1 ORGANIC MIXTURE AND APPLICATION THEREOF IN ORGANIC ELECTRONIC DEVICES OCIAD1, OCIAD2, SORD CYP3A4 2055/4885ALDH1A1 2289/4885KDM4E 4426/4885
US-11680059-B2 Organic mixture and application thereof in organic electronic devices OCIAD1, OCIAD2, SORD CYP3A4 2055/4885ALDH1A1 2289/4885KDM4E 4426/4885
US-20200185615-A1 ORGANIC CHEMICAL COMPOUND, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC COMPONENT OSTC, ODC1, ORC3 CYP3A4 27/4885ALDH1A1 216/4885KDM4E 3091/4885

“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.