SCHEMBL2790840

SCHEMBL2790840

CC1CNC(=O)CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PARP3 Q9Y6F1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 4/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL19972233 0.76 MCL1 (0.43) SLC6A3ALDH1A1PARP3NPSR1LMNA
SCHEMBL19985883 0.76 MCL1 (0.43) SLC6A3ALDH1A1PARP3NPSR1LMNA
SCHEMBL2792608 0.75 MAOB (0.48) SLC6A3PARP3LMNA
SCHEMBL1901694 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPSR1SIGMAR1LMNA
SCHEMBL1904591 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPSR1SIGMAR1LMNA
SCHEMBL12525034 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPSR1SIGMAR1LMNA
SCHEMBL28492624 0.73 SLC9A1 (0.42) SLC6A3ALDH1A1PARP3NPSR1SIGMAR1
SCHEMBL28490616 0.73 MCL1 (0.49) SLC6A3ALDH1A1PARP3SMN1; SMN2NPSR1
SCHEMBL1096906 0.73 SLC6A4 (0.49) SLC6A3TSHR
SCHEMBL3150368 0.73 MAPK1 (0.56) ALDH1A1MTNR1APDE4APDE4BPDE4C

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
US-20100163070-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBRES USING HEATING MEANS AND AN AMIDE L'OREAL S.A. (FR) 2010-07-01 US claimed
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2019-05-02 US disclosed
US-10092490-B2 Method for straightening keratinous fibres using heating means and an amide L'OREAL (FR) 2018-10-09 US disclosed
US-20140326268-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2014-11-06 US disclosed
US-8765107-B2 Process for straightening keratin fibres with a heating means and denaturing agents L'OREAL (FR) 2014-07-01 US disclosed
US-20120192888-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L 'Oréal S.A., (FR) 2012-08-02 US disclosed
US-20100163070-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBRES USING HEATING MEANS AND AN AMIDE L'OREAL S.A. (FR) 2010-07-01 US disclosed
US-20100028280-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL S.A. (FR) 2010-02-04 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 (4 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-20120192888-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A SLC6A3 4883/4885ALDH1A1 2916/4885PARP3 2307/4885
US-20100028280-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A SLC6A3 4883/4885ALDH1A1 2916/4885PARP3 2307/4885
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A SLC6A3 4883/4885ALDH1A1 2916/4885PARP3 2307/4885
US-10092490-B2 Method for straightening keratinous fibres using heating means and an amide KRT18, TUBB3, KIF5C SLC6A3 4750/4885ALDH1A1 2077/4885PARP3 1552/4885

“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.