SCHEMBL1783686

SCHEMBL1783686

C=CCCCCc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC4 P56524 1/20 0.41
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
THRB P10828 5/20 0.33
THRA P10827 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL3079515 0.94 HDAC1 (0.38) TDP1ALDH1A1USP2HPGDHDAC1
SCHEMBL1004080 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11328438 0.84 TDP1 (0.48) TDP1ALDH1A1USP2HPGDHDAC1
SCHEMBL12989712 0.82 TDP1 (0.52) TDP1ALDH1A1USP2HPGDHDAC1
SCHEMBL11336193 0.82 TDP1 (0.52) TDP1ALDH1A1USP2HPGDHDAC1
SCHEMBL11803736 0.82 MAOA (0.40) ALDH1A1LMNA
SCHEMBL11690401 0.79 SIGMAR1 (0.41) ALDH1A1LMNATSHR
SCHEMBL27583870 0.79 IGF1R (0.31)
SCHEMBL648362 0.78 MAOA (0.52) TDP1ALDH1A1USP2HPGDHDAC1
SCHEMBL29819537 0.77 HDAC1 (0.43) TDP1ALDH1A1USP2HPGDHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263709-B2 Crystal nucleating agents, crystalline polymer composition, methods of manufacture thereof, and articles thereof UNIVERSITY OF MASSACHUSETTS (US) 2012-09-11 US disclosed
US-20110118415-A1 CRYSTAL NUCLEATING AGENTS, CRYSTALLINE POLYMER COMPOSITION, METHODS OF MANUFACTURE THEREOF, AND ARTICLES THEREOF THE UNIVERSITY OF MASSACHUSETTS (US) 2011-05-19 US disclosed
US-7723450-B2 Transition metal compound, ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2010-05-25 US disclosed
US-20070260023-A1 Transition Metal Compound, Ligand System, Catalyst System and Process for Preparing Polyolefins BASELL POLYOLEFINE GMBH (DE) 2007-11-08 US disclosed
CN-1964998-A Transition metal compound, ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2007-05-16 CN disclosed
EP-1761571-A1 TRANSITION METAL COMPOUND, LIGAND SYSTEM., CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS Basell Polyolefine GmbH (DE) 2007-03-14 EP disclosed
WO-2005118654-A1 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-12-15 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-20070260023-A1 Transition Metal Compound, Ligand System, Catalyst System and Process for Preparing Polyolefins ZYX, ZC3HAV1L, ZKSCAN2 TDP1 4607/4885ALDH1A1 2307/4885USP2 3889/4885

“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.