SCHEMBL331882

SCHEMBL331882

O=[C]OCc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
AKR1B1 P15121 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
IDO1 P14902 1/20 0.35
DPP4 P27487 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1683184 0.79 IDO1 (0.60) SMN1; SMN2TAAR1ALDH1A1KMT2AKDM4E
SCHEMBL97308 0.78 ALDH1A1 (0.35) ALDH1A1IDO1
SCHEMBL98917 0.77 IDO1 (0.55) SMN1; SMN2TAAR1HPGDL3MBTL1IDO1
SCHEMBL2088676 0.74 SLC22A12 (0.38) SMN1; SMN2TAAR1ALDH1A1
SCHEMBL5537730 0.74 MMP1 (0.40) SMN1; SMN2TAAR1ALDH1A1KMT2AKDM4E
SCHEMBL865249 0.74 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1TAAR1ALDH1A1KMT2A
SCHEMBL2096467 0.71 CA1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL9165701 0.70 TAAR1 (0.50) SMN1; SMN2AKR1B1TAAR1ALDH1A1KMT2A
SCHEMBL19055351 0.70 SMN1; SMN2 (0.48) SMN1; SMN2AKR1B1TAAR1ALDH1A1KMT2A
SCHEMBL13108637 0.70 SMN1; SMN2 (0.48) SMN1; SMN2AKR1B1TAAR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 US claimed
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-05-26 US claimed
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP claimed
JP-2002541237-A 2002-12-03 JP claimed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed
US-4098777-A OLIGOPEPTIDES, TREATMENT OF AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1978-07-04 US claimed
EP-3649146-B1 APELIN PEPTIDES AND USES THEREOF UNIV ALBERTA (CA) 2024-06-26 EP disclosed
US-11186614-B2 Anti-HIV peptides COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-11-30 US disclosed
US-20210115087-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIV ROCHESTER (US) 2021-04-22 US disclosed
US-20200239537-A1 APELIN PEPTIDES AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-07-30 US disclosed
US-10723776-B1 Apelin peptides and uses thereof THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2020-07-28 US disclosed
US-4093574-A Somatostatin analogs and intermediates thereto ELI LILLY AND COMPANY (US) 1978-06-06 US disclosed
US-4087390-A Somatostatin analogs and intermediates thereto ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4076659-A L-Val10 -somatostatin and intermediates thereto ELI LILLY AND COMPANY (US) 1978-02-28 US disclosed
US-4062816-A D-Ala5 -somatostatin and intermediates thereto ELI LILLY AND COMPANY (US) 1977-12-13 US disclosed
US-4061626-A GROWTH HORMONE STIMULANTS ELI LILLY AND COMPANY (US) 1977-12-06 US disclosed
US-4061607-A Somatostatin analogs and intermediates thereto ELI LILLY AND COMPANY (US) 1977-12-06 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 (4 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-20210115087-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 SMN1; SMN2 4579/4885AKR1B1 4703/4885TAAR1 2881/4885
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES VIP, HABP2, DPP9 SMN1; SMN2 2834/4885AKR1B1 2302/4885TAAR1 3958/4885
US-10723776-B1 Apelin peptides and uses thereof APLNR, MME, ANPEP SMN1; SMN2 1266/4885AKR1B1 1008/4885TAAR1 3414/4885
US-20200239537-A1 APELIN PEPTIDES AND USES THEREOF APLNR, MME, ANPEP SMN1; SMN2 1266/4885AKR1B1 1008/4885TAAR1 3414/4885

“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.