SCHEMBL9607557

SCHEMBL9607557

CC(=O)Nc1cccc(F)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.45
LMNA P02545 3/20 0.44
HDAC1 Q13547 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.42
PARP14 Q460N5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18097910 0.81 ALDH1A1 (0.61) ALDH1A1HPGDMAOALMNAKDM4E
SCHEMBL29191666 0.81 PARP14 (0.49) ALDH1A1HPGDMAOALMNAKDM4E
SCHEMBL12985612 0.79 SMN1; SMN2 (0.47) ALDH1A1HPGDMAOALMNAKDM4E
SCHEMBL30368335 0.78 ALDH1A1 (0.52) ALDH1A1HPGDMAOALMNAHDAC1
SCHEMBL1430696 0.78 ALDH1A1 (0.52) ALDH1A1HPGDMAOALMNAHDAC1
SCHEMBL14576915 0.78 L3MBTL1 (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL29408738 0.77 RAB9A (0.69) ALDH1A1HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL1430533 0.77 RAB9A (0.69) ALDH1A1HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL30002532 0.77 SMN1; SMN2 (0.61) ALDH1A1HPGDMAOALMNAHDAC1
SCHEMBL6379676 0.77 ALDH1A1 (0.50) ALDH1A1HPGDMAOALMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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 (2 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ ALDH1A1 2591/4885HPGD 536/4885MAOA 3593/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH ALDH1A1 2986/4885HPGD 3445/4885MAOA 703/4885

“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.