SCHEMBL3540755

SCHEMBL3540755

CCC1CCCCC1CN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL7214942 1.00 CA1 (0.36) CA1CA2CA4NOS3NOS1
SCHEMBL21400990 1.00 CA1 (0.36) CA1CA2CA4NOS3NOS1
SCHEMBL22333677 0.94
Hydrochloric Acid SCHEMBL7214950 0.94 CA1 (0.31) CA1CA2CA4NOS3NOS1
SCHEMBL3538822 0.94
SCHEMBL12160543 0.88
Hydrochloric Acid SCHEMBL25267551 0.88 KDM4E (0.36) KDM4EGMNNLMNAMAPTBLM
SCHEMBL16191148 0.85 CA1 (0.46) CA1CA2CA4NOS3NOS1
SCHEMBL2484460 0.85 EPHX1 (0.36)
SCHEMBL18428581 0.85 EPHX1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210324276-A1 Steam Cracking Processes and the Use of Solvents Streams Produced by Solvent-Assisted Tar Conversion Processes EXXONMOBIL CHEMICAL PATENTS INC (US) 2021-10-21 US disclosed
US-9994679-B2 Polymerization process of polyarylene sulfide INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-12 US disclosed
US-20170204225-A1 POLYMERIZATION PROCESS OF POLYARYLENE SULFIDE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-07-20 US disclosed
US-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 US disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 US disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
US-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 US disclosed
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 CA1 2164/4885CA2 3769/4885CA4 4587/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 CA1 2028/4885CA2 3613/4885CA4 4409/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 CA1 2164/4885CA2 3769/4885CA4 4587/4885

“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.