SCHEMBL20009113

SCHEMBL20009113

CC(C)C(=O)C[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.53
HTR2B P41595 6/20 0.49
HTR2A P28223 4/20 0.49
MAOB P27338 2/20 0.49
KDM1A O60341 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FFAR1 O14842 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CNR1 P21554 1/20 0.42
HRH3 Q9Y5N1 2/20 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
SCHEMBL24663868 1.00 HTR2C (0.53) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL6130292 0.80 HTR2C (0.57) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL6130290 0.80 HTR2C (0.57) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL1600657 0.77 HTR2C (0.58) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL4587814 0.77 HTR2C (0.53) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL13305511 0.77 HTR2C (0.58) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL22549670 0.73 AKR1C3 (0.49) FFAR1HRH3
SCHEMBL22875209 0.73 EPHX2 (0.47) HTR2CMAOBKDM1AFFAR1HRH3
SCHEMBL1797394 0.73 HTR2C (0.61) HTR2CHTR2BHTR2AMAOBKDM1A
SCHEMBL24663869 0.72 IDO1 (0.51) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 HTR2C 4250/4885HTR2B 3330/4885HTR2A 3863/4885

“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.