SCHEMBL1391126

SCHEMBL1391126

ClCc1ccc(OCC2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.51
PARP10 Q53GL7 3/20 0.51
PARP2 Q9UGN5 2/20 0.51
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL8315554 1.00 PARP15 (0.51) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL8315556 1.00 PARP15 (0.51) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL26961763 0.88 ACACB (0.48) PARP15PARP10PARP2TDP1
SCHEMBL29024848 0.85 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL16902879 0.80 PARP15 (0.56) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL8273728 0.80 PARP15 (0.51) PARP15PARP10PARP2TDP1
SCHEMBL20766456 0.80 PARP15 (0.56) PARP15PARP10PARP2TDP1
SCHEMBL3720802 0.80 PARP15 (0.51) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL20421066 0.80 PARP15 (0.46) PARP15PARP10PARP2
SCHEMBL4525743 0.80 PARP15 (0.56) PARP15PARP10PARP2TDP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
EP-0912090-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORP (US) 2000-05-17 EP disclosed
US-6017931-A Insecticidal compositions containing n-(substituted phenylmethyl)-4-[bis(substituted phenyl)methyl]piperidines FMC CORPORATION 2000-01-25 US disclosed
EP-0912090-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1999-05-06 EP disclosed
US-5795901-A Insecticidal N-(substituted arylmethyl)-4- bis(substituted aryl)hydroxymethyl!piperidinium salts FMC CORPORATION (US) 1998-08-18 US disclosed
WO-1998000015-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1998-01-08 WO disclosed
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB PARP15 2382/4885PARP10 3035/4885PARP2 3948/4885
US-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A PARP15 3998/4885PARP10 4535/4885PARP2 3805/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 PARP15 247/4885PARP10 366/4885PARP2 1167/4885

“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.