SCHEMBL163780

SCHEMBL163780

Cc1cccc2c1CCC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
PARP10 Q53GL7 1/20 0.56
PARP11 Q9NR21 1/20 0.56
TYMS P04818 2/20 0.49
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NOTUM Q6P988 1/20 0.41
DAO P14920 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
S100A4 P26447 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAOA P21397 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
SCHEMBL29495011 1.00 PARP1 (0.56) PARP1PARP10PARP11TYMSACHE
SCHEMBL29501042 0.89 PARP1 (0.55) PARP1PARP10PARP11TYMSACHE
SCHEMBL1151194 0.89 PARP1 (0.55) PARP1PARP10PARP11TYMSACHE
SCHEMBL5752790 0.89 PARP1 (0.55) PARP1PARP10PARP11TYMSACHE
SCHEMBL28393186 0.86 TYMS (0.45) PARP1PARP10PARP11TYMSACHE
SCHEMBL3624614 0.86 TYMS (0.47) PARP1PARP10PARP11TYMSACHE
SCHEMBL30825738 0.84 TYMS (0.44) PARP1PARP10PARP11TYMSACHE
SCHEMBL3628501 0.79 ALDH1A1 (0.45) PARP1PARP10PARP11TYMSACHE
SCHEMBL16745637 0.79 PTGS2 (0.40) PARP1PARP10PARP11TYMSACHE
SCHEMBL8602406 0.78 TYMS (0.49) PARP1PARP10PARP11TYMSACHE

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 382 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861113-B Preparation and application of fused ring pyridine compound and derivative thereof 中国科学院福建物质结构研究所 2022-12-06 CN claimed
CN-113861113-A Preparation and application of fused ring pyridine compound and derivative thereof 中国科学院福建物质结构研究所 2021-12-31 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
US-5618982-A SIMPLE INDUSTRIAL PROCESS OF CATALYZING IN PRESENCE OF METALLIC PHOSPHATES RHONE-POULENC CHIMIE (FR) 1997-04-08 US claimed
EP-0355750-B1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER LAMBERT CO (US) 1995-01-25 EP claimed
US-12441748-B2 Metal-ligand complexes DOW GLOBAL TECHNOLOGIES LLC (US) 2025-10-14 US disclosed
US-20250136582-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2025-05-01 US disclosed
CN-113748140-B Metal-ligand complexes 陶氏环球技术有限责任公司 2025-03-11 CN disclosed
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
US-20240368001-A1 SALT RECOVERY SOLUTION AND PROCESSES OF USE THEREOF AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2024-11-07 US disclosed
US-5177075-A Antitumor agents WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
EP-0355750-A1 Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process WARNER-LAMBERT COMPANY (US) 1990-02-28 EP disclosed
US-4761403-A QUINOLONE DERIVATIVES ABBOTT LABORATORIES (US) 1988-08-02 US disclosed
EP-0240859-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1987-10-14 EP disclosed
EP-0236913-A2 Aryl-azolylmethyl-benzocyclo-alkene derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-16 EP disclosed
US-4226875-A Novel spiro-oxazolidinediones PFIZER INC. (US) 1980-10-07 US disclosed
US-3954983-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 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 (5 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-20250136582-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS PARP1 1793/4885PARP10 1769/4885PARP11 653/4885
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C PARP1 4138/4885PARP10 4153/4885PARP11 3337/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C PARP1 4225/4885PARP10 4200/4885PARP11 3666/4885
US-12441748-B2 Metal-ligand complexes ARL1, CRKL, SAAL1 PARP1 1727/4885PARP10 479/4885PARP11 1108/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR PARP1 4793/4885PARP10 4841/4885PARP11 4883/4885

“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.