SCHEMBL20444530

SCHEMBL20444530

CC(C)c1ccc(OCC(O)CN2CCOCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.76
USP2 O75604 1/20 0.70
TSHR P16473 1/20 0.70
PKM P14618 1/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 2/20 0.68
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.65
GAA P10253 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAPK1 P28482 3/20 0.65
KDM4E B2RXH2 1/20 0.64
ABCB1 P08183 2/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
ADRB3 P13945 1/20 0.62

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
SCHEMBL4578170 0.90 USP2 (0.83) KMT2AUSP2TSHRPKMLMNA
SCHEMBL12834994 0.86 USP2 (0.81) KMT2AUSP2TSHRPKMMAPT
SCHEMBL16370620 0.86 L3MBTL1 (0.74) KMT2AUSP2TSHRPKMMAPT
SCHEMBL20437921 0.86 KMT2A (0.94) KMT2ATSHRMAPTLMNAALDH1A1
SCHEMBL20444278 0.84 KMT2A (0.76) KMT2AUSP2TSHRMAPTLMNA
SCHEMBL16314566 0.83 USP2 (0.73) KMT2AUSP2TSHRPKMLMNA
SCHEMBL10770632 0.83 USP2 (0.73) KMT2AUSP2TSHRPKMLMNA
SCHEMBL20898158 0.83 TSHR (0.97) KMT2AUSP2TSHRPKMLMNA
SCHEMBL24378058 0.83 PKM (0.84) KMT2AUSP2TSHRPKMALDH1A1
SCHEMBL8356145 0.83 PKM (0.84) KMT2AUSP2TSHRPKMALDH1A1

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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor PLEXXIKON INC. (US) 2020-07-07 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor CDK8, CDK7, CDK18 KMT2A 333/4885USP2 3038/4885TSHR 3203/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 KMT2A 333/4885USP2 3038/4885TSHR 3203/4885

“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.