SCHEMBL13612883

SCHEMBL13612883

CCOC(=O)CCC(=O)c1cc(F)cc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
STING1 Q86WV6 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
EGFR P00533 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
SCHEMBL20945667 0.91 LMNA (0.43) ALDH1A1KMT2AMAPTHPGDSTING1
SCHEMBL30666368 0.82 SMN1; SMN2 (0.49) ALDH1A1KMT2AHPGDSTING1CYP3A4
SCHEMBL979632 0.81 NPC1 (0.47) ALDH1A1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL670880 0.79 CA12 (0.55) ALDH1A1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5313798 0.79 NPC1 (0.57) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL1376927 0.78 SMN1; SMN2 (0.44) ALDH1A1KMT2AMAPTSTING1CYP1A2
SCHEMBL4686898 0.78 LMNA (0.61) ALDH1A1KMT2AMAPTHPGDCYP1A2
SCHEMBL10456907 0.78 KMT2A (0.68) ALDH1A1KMT2AMAPTHPGDCYP1A2
SCHEMBL4315127 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTHPGDSTING1
SCHEMBL30666326 0.77 RXFP1 (0.51) ALDH1A1KMT2AMAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612243-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2009-11-03 US disclosed
US-7612243-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2009-11-03 US disclosed
US-20080058537-A1 CYCLOPENTA[B]NAPHTHALENE DERIVATIVES LIETZAU LARS 2008-03-06 US disclosed
US-20080058537-A1 CYCLOPENTA[B]NAPHTHALENE DERIVATIVES LIETZAU LARS 2008-03-06 US disclosed
US-7291366-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-7291366-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2007-11-06 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-20080058537-A1 CYCLOPENTA[B]NAPHTHALENE DERIVATIVES NUCB2, NDC1, JUP ALDH1A1 3989/4885KMT2A 4706/4885MAPT 654/4885

“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.