SCHEMBL20380968

SCHEMBL20380968

CCOC(C)(C)CCNC(=O)CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 4/20 0.39
CNR1 P21554 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.35
CA1 P00915 2/20 0.33
GAA P10253 1/20 0.33
CAPN1 P07384 1/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
NAMPT P43490 1/20 0.33
CASP2 P42575 1/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 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
SCHEMBL25847264 0.86 ALDH1A1 (0.41) ALDH1A1ESR1CNR1HPGDGAA
SCHEMBL20806755 0.86 ALDH1A1 (0.43) ALDH1A1ESR1CNR1HPGDLMNA
SCHEMBL20878486 0.86 HPGD (0.39) ALDH1A1ESR1CNR1HPGDLMNA
SCHEMBL19245438 0.85 SMN1; SMN2 (0.41) ALDH1A1HPGDGAAHTT
SCHEMBL20362595 0.85 CASP2 (0.47) ALDH1A1HPGDGAACASP2
SCHEMBL19776395 0.83 SIGMAR1 (0.37) ALDH1A1HPGDGAACASP2
SCHEMBL23126135 0.82 FAAH (0.45) ALDH1A1CNR1GAACASP2
SCHEMBL17662624 0.82 HTT (0.38) ALDH1A1CNR1CNR2GAAHTT
SCHEMBL20143551 0.82 ALDH1A1 (0.34) ALDH1A1CA1GAACASP2
SCHEMBL20287600 0.81 ALDH1A1 (0.52) ALDH1A1ESR1CNR1HPGDLMNA

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-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-20190077752-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-14 US disclosed
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 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 (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-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 ALDH1A1 1427/4885ESR1 4480/4885CNR1 4712/4885
US-10022453-B2 Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP) KIF5B, KIF23, KIF2C ALDH1A1 924/4885ESR1 4353/4885CNR1 4770/4885
US-20190077752-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BUB1B, KIF5B, TK1 ALDH1A1 1427/4885ESR1 4480/4885CNR1 4712/4885

“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.