SCHEMBL3983595

SCHEMBL3983595

Cc1cc2ccccc(C)c-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
S1PR4 O95977 1/20 0.44
TSHR P16473 3/20 0.43
ACHE P22303 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HTR1A P08908 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PSMB5 P28074 1/20 0.39
ESR2 Q92731 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL5025375 0.81 HTR7 (0.55) HTR7TSHRACHEHTR1ANPC1
SCHEMBL278217 0.81 S1PR4 (0.53) S1PR4TSHRACHENPC1HPGD
SCHEMBL11079208 0.80 HTR7 (0.44) HTR7TSHRACHECA1CA2
SCHEMBL27720563 0.78 METAP2 (0.46) CA1CA2CA7CA9ALDH1A1
SCHEMBL29535942 0.78 HDAC7 (0.50) S1PR4ALDH1A1HPGDMETAP2KDM4E
SCHEMBL277849 0.78 HDAC7 (0.50) S1PR4ALDH1A1HPGDMETAP2KDM4E
SCHEMBL19577768 0.78 MAPT (0.48) HTR7TSHRACHEHTR1ANPC1
SCHEMBL29628983 0.77 HTR7 (0.60) HTR7TSHRACHECA1CA2
SCHEMBL19577765 0.77 HTR7 (0.60) HTR7TSHRACHECA1CA2
SCHEMBL598686 0.75 TSHR (0.53) TSHRACHENPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299405-B1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2009-05-13 EP disclosed
CN-100436490-C Polymerization catalyst for alpha-olefin, novel transition metal compound and catalyst component, and process for producing polymer MITSUBISHI CHEM CORP (JP) 2008-11-26 CN disclosed
US-20060147378-A1 Azulene dimer-quenched, near-infrared fluorescent probes THE GENERAL HOSPITAL CORPORATION 2006-07-06 US disclosed
US-6800701-B2 USING COORDINATION CATALYSTS DOW GLOBAL TECHNOLOGIES INC. 2004-10-05 US disclosed
WO-2004028449-A2 AZULENE DIMER-QUENCHED, NEAR-INFRARED FLUORESCENT PROBES THE GENERAL HOSPITAL CORPORATION (US) 2004-04-08 WO disclosed
US-20030216529-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2003-11-20 US disclosed
US-6613921-B2 Ligand comprising at least: a cyclopentadienyl ring, a 6,7,or 8 membered ring other than a 6-carbon aromatic ring, and an aromatic ring; said 6, 7, or 8 membered ring, is fused to both the cyclopentadienyl and the aromatic ring DOW GLOBAL TECHNOLOGIES INC. 2003-09-02 US disclosed
EP-1299405-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2003-04-09 EP disclosed
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-05-23 US disclosed
WO-2002002577-A1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGY INC. (US) 2002-01-10 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 (3 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-20030216529-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process PIN1, ZC3H18, ORC3 HTR7 1507/4885S1PR4 3751/4885TSHR 4711/4885
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process PIN1, ZC3H18, ORC3 HTR7 1507/4885S1PR4 3751/4885TSHR 4711/4885
US-20060147378-A1 Azulene dimer-quenched, near-infrared fluorescent probes ADAM17, DNPEP, APEH HTR7 3533/4885S1PR4 4484/4885TSHR 2027/4885

“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.