SCHEMBL21383992

SCHEMBL21383992

COC(=O)c1ccc(=O)n(C2COC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CCR4 P51679 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR3A P46098 1/20 0.33
PLAT P00750 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL21384106 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMAPK1POLBTDP1
SCHEMBL25077956 0.86 ALDH1A1 (0.39) ALDH1A1KMT2APOLBTDP1PDE1B
SCHEMBL25078142 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1POLBTDP1
SCHEMBL21383986 0.82 SMN1; SMN2 (0.33) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL25078627 0.81 PLAT (0.49) ALDH1A1KMT2AMAPK1POLBTDP1
SCHEMBL25078297 0.79 BACE1 (0.41) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL24958742 0.77 KMT2A (0.43) ALDH1A1KMT2AMAPK1POLBTDP1
SCHEMBL15633322 0.76 ALDH1A1 (0.42) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL23529922 0.74 PTGER4 (0.42) ALDH1A1KMT2AMAPK1PDE1BPDE1C
SCHEMBL23530036 0.74 PTGER4 (0.37) ALDH1A1KMT2AMAPK1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 ALDH1A1 293/4885KMT2A 587/4885MAPK1 3871/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885KMT2A 2479/4885MAPK1 4304/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885KMT2A 2479/4885MAPK1 4304/4885

“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.