SCHEMBL18908652

SCHEMBL18908652

CC(C)NCCOCCOCCOCCOCCNC(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1B P28222 3/20 0.37
ADRB2 P07550 3/20 0.34
ADRB1 P08588 2/20 0.34
HTR1A P08908 1/20 0.34
NR2E1 Q9Y466 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18908660 1.00 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL10914222 1.00 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL18908756 1.00 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL22930120 1.00 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL22837632 1.00 KDM4E (0.44) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL10092557 0.97 KDM4E (0.42) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL20562681 0.92 KDM4E (0.41) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL20562213 0.92 KDM4E (0.41) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL25129088 0.90 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A
SCHEMBL23560010 0.90 KDM4E (0.40) KDM4EPOLBTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-13 US disclosed
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-21 US disclosed
US-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-22 US disclosed
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 US disclosed
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 US disclosed
WO-2017091673-A2 BIVALENT BROMODOMAIN INHIBTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-01 WO 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 (5 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-20210221826-A1 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KDM4E 524/4885POLB 670/4885TDP1 1972/4885
US-10913752-B2 Bivalent bromodomain inhibitors and uses thereof BRD4, BRD2, BET1 KDM4E 539/4885POLB 662/4885TDP1 1930/4885
US-20200172553-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KDM4E 607/4885POLB 706/4885TDP1 1891/4885
US-20220119416-A9 BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BET1, BRD2 KDM4E 524/4885POLB 670/4885TDP1 1972/4885
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF CDK2, CDK20, CDK1 KDM4E 1060/4885POLB 163/4885TDP1 443/4885

“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.