SCHEMBL3240836

SCHEMBL3240836

COc1ccc2cc(C(=O)C(C)I)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTGS2 P35354 4/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
PTGS1 P23219 2/20 0.51
TSHR P16473 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
ALOX5 P09917 1/20 0.49
PLAU P00749 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL16346363 0.86 KDM4E (0.66) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9196872 0.85 KDM4E (0.64) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9593388 0.85 KDM4E (0.64) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL11217337 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9592986 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL30824304 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9044944 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9046301 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9592745 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL9529778 0.83 KDM4E (0.62) KDM4ECYP1A2ALDH1A1HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662844-B2 Naphthylene derivatives as cytochrome P450 inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
EP-1654236-A1 NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
US-20060009645-A1 Naphthylene derivatives as cytochrome P450 inhibitors OSI PHARMACEUTICALS, INC. 2006-01-12 US disclosed
WO-2005007631-A1 NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-4675418-A Process for preparing alkanoic acids or esters thereof by rearrangement of alpha-halo-ketones in protic medium and in the presence of a non-noble metal salt BLASCHIM S.P.A. (IT) 1987-06-23 US disclosed
US-4550191-A Process for preparing esters of 2'-(6'-methoxy-2-naphthyl)-propionic acid BLASCHIM S.P.A. (IT) 1985-10-29 US disclosed
US-4550191-A Process for preparing esters of 2'-(6'-methoxy-2-naphthyl)-propionic acid BLASCHIM S.P.A. (IT) 1985-10-29 US disclosed
EP-0089711-B1 PROCESS FOR PREPARING ESTERS OF 2-(6'-METHOXY-2'-NAPHTHYL)-PROPIONIC ACID BLASCHIM S.p.A. (IT) 1985-09-18 EP disclosed
EP-0071299-B1 PROCESS FOR PREPARING ALKANOIC ACIDS OR ESTERS THEREOF BY REARRANGEMENT OF ALPHA-HALO-KETONES IN PROTIC MEDIUM AND IN THE PRESENCE OF A NON-NOBLE METAL SALT BLASCHIM S.p.A. (IT) 1984-10-31 EP disclosed
EP-0089711-A2 Process for preparing esters of 2-(6'-methoxy-2'-naphthyl)-propionic acid BLASCHIM S.p.A. (IT) 1983-09-28 EP disclosed
EP-0089711-A2 Process for preparing esters of 2-(6'-methoxy-2'-naphthyl)-propionic acid BLASCHIM S.p.A. (IT) 1983-09-28 EP disclosed
EP-0071299-A1 Process for preparing alkanoic acids or esters thereof by rearrangement of alpha-halo-ketones in protic medium and in the presence of a non-noble metal salt BLASCHIM S.p.A. (IT) 1983-02-09 EP 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-20060009645-A1 Naphthylene derivatives as cytochrome P450 inhibitors CYP1A1, CYP1A2, RARA KDM4E 4251/4885CYP1A2 2/4885ALDH1A1 156/4885

“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.