SCHEMBL6790030

SCHEMBL6790030

CC1CCC(C(C)C)C(OC(=O)[C@@H](N)Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
CYP19A1 P11511 2/20 0.53
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL27607729 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL6226118 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL8365319 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL27589717 0.90 ALDH1A1 (0.54) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL27589718 0.90 ALDH1A1 (0.54) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL12193982 0.84 ALDH1A1 (0.52) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL12193983 0.84 ALDH1A1 (0.52) ALDH1A1HPGDCYP19A1LMNANPSR1
Hydrochloric Acid SCHEMBL21331625 0.82 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1LMNANPSR1
Hydrochloric Acid SCHEMBL21331624 0.82 ALDH1A1 (0.50) ALDH1A1HPGDCYP19A1LMNANPSR1
SCHEMBL17459803 0.81 EPHX1 (0.50) ALDH1A1HPGDCYP19A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402547-A Synthesis method of N-acyl phosphoramide compound 兰州大学 2021-09-17 CN disclosed
CN-1532273-A Solid detergent 株式会社津村 2004-09-29 CN disclosed
US-6689889-B2 USING N-ACRYLOXYPHENYLANILINE NEOMENTHYLAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
US-20020133017-A1 Chromatographic separation of enantiomers of lactones DAICEL CHEMICAL INDUSTRIES, LTD (JP) 2002-09-19 US disclosed
US-6274736-B1 ISOMER MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-14 US disclosed
EP-0973705-A1 CHROMATOGRAPHIC ENANTIOMER SEPARATION OF LACTONES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998045230-A1 CHROMATOGRAPHIC ENANTIOMER SEPARATION OF LACTONES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-15 WO disclosed
EP-0379917-A2 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1990-08-01 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 (1 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-20020133017-A1 Chromatographic separation of enantiomers of lactones PAH, DNPEP, NPEPPS ALDH1A1 1650/4885HPGD 363/4885CYP19A1 1158/4885

“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.