SCHEMBL6063227

SCHEMBL6063227

CCCC1c2ccccc2C2=CC(=O)CCC21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SRD5A1 P18405 2/20 0.31
ESR2 Q92731 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL6062663 0.78 HTR2A (0.35) KMT2AMEN1CYP1A2SRD5A1ESR2
SCHEMBL9069600 0.69 CYP1A2 (0.39) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL27023393 0.68 NPC1 (0.42)
SCHEMBL6063222 0.65 ACHE (0.38)
SCHEMBL11073821 0.64 BCHE (0.39)
SCHEMBL28980714 0.64 BCHE (0.40) CYP1A2CYP2C9CYP2C19
SCHEMBL12963545 0.62 CYP2D6 (0.44) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7716943 0.62 CYP2A6 (0.40)
SCHEMBL30588973 0.61 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2ESR2
SCHEMBL27521099 0.61 HTR6 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 WO 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-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA KMT2A 1157/4885MEN1 3259/4885CYP1A2 731/4885

“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.