SCHEMBL42805

SCHEMBL42805

Nc1ccc2c(c1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
EGFR P00533 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
GRIN2B Q13224 1/20 0.43
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42

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
SCHEMBL29779691 1.00 CA12 (0.48) CA12CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL2476978 0.97 CA12 (0.47) CA12CA1CA2CA7CA14
SCHEMBL264473 0.95 ADRA2A (0.47) CA12CA1CA2CA7CA14
SCHEMBL4684525 0.92 HSD17B10 (0.48) CA12CA1CA2CA7CA14
SCHEMBL21033028 0.92 HSD17B10 (0.48) CA12CA1CA2CA7CA14
SCHEMBL7967652 0.92 HSD17B10 (0.48) CA12CA1CA2CA7CA14
SCHEMBL20776763 0.92 HSD17B10 (0.48) CA12CA1CA2CA7CA14
SCHEMBL21765305 0.92 HSD17B10 (0.48) CA12CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL8980397 0.92 ADRA2A (0.45) CA12CA1CA2CA7CA14
SCHEMBL18410108 0.92 HSD17B10 (0.48) CA12CA1CA2CA7CA14

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 1770 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024160820-A1 CERIUM-DIKETONATE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS Credoxys GmbH (DE) 2024-08-08 WO claimed
CN-118221696-A Pyrimidine heterocyclic compound containing N-methylpiperazine structure, and preparation method and application thereof 潍坊医学院 2024-06-21 CN claimed
CN-116550007-A Method for separating and preparing 4-aminoindan by using supercritical fluid chromatography system 江苏汉邦科技股份有限公司 2023-08-08 CN claimed
EP-4029069-A1 CERIUM (IV) COMPLEXES AND THEIR USE IN ORGANIC ELECTRONICS Credoxys GmbH c/o Institut for Applied Physics (DE) 2022-07-20 EP claimed
WO-2021048044-A1 CERIUM (IV) COMPLEXES AND THEIR USE IN ORGANIC ELECTRONICS Technische Universität Dresden (DE) 2021-03-18 WO claimed
EP-2859069-B1 METHOD AND APPARATUS FOR TREATING PETROLEUM EQUIPMENT FERRARA MARCELLO (IT) 2020-10-14 EP claimed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US claimed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US claimed
US-9833768-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-12-05 US claimed
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION IMPOSSIBLE FOODS INC. 2017-11-09 US claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
EP-0805799-A1 NOVEL SWEETENERS DERIVED FROM 3,4-DISUBSTITUTED $g(a)-BENZENEAMIDE N-(4-CYANOPHENYLCARBAMOYL OR 2-CYANOPYRID-5-YLCARBAMOYL)-L-ASPARTIC OR L-GLUTAMIC ACIDS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1997-11-12 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed
US-5221682-A Skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-22 US claimed

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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CA12 4163/4885CA1 3483/4885CA2 1701/4885
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A CA12 4191/4885CA1 4142/4885CA2 4344/4885
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CA12 4163/4885CA1 3483/4885CA2 1701/4885

“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.