SCHEMBL800590

SCHEMBL800590

CNCCCC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.42
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
EPHX1 P07099 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BBOX1 O75936 1/20 0.32
LTA4H P09960 2/20 0.31
CES2 O00748 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL22387076 0.93 KDM4A (0.42) KISS1RKDM4AKDM4CEPHX1MEN1
SCHEMBL25792705 0.91 KDM4A (0.44) KISS1RKDM4AKDM4CEPHX1MEN1
SCHEMBL15372053 0.91 KDM4A (0.44) KISS1RKDM4AKDM4CEPHX1MEN1
SCHEMBL25092041 0.91 KDM4A (0.44) KISS1RKDM4AKDM4CEPHX1MEN1
SCHEMBL10125773 0.85
SCHEMBL24829553 0.84 KDM4E (0.37) KISS1RMEN1KMT2AALDH1A1KDM4E
SCHEMBL20372725 0.82 KDM4E (0.36) KISS1RKDM4AKDM4CMEN1KMT2A
SCHEMBL19540481 0.81 CASP2 (0.46) MEN1FAAHMAPK1KMT2A
SCHEMBL16248569 0.80 MEN1 (0.38) EPHX1MEN1FAAHKMT2AALDH1A1
SCHEMBL26483481 0.80 ALDH1A1 (0.41) KISS1RMEN1FAAHKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134676-A1 PROCESS FOR THE PREPARATION OF TIRZEPATIDE DR. REDDY’S LABORATORIES LIMITED (IN) 2024-06-27 WO disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
WO-2022253167-A1 SUBSTITUTED PHENYL-1H-PYRROLO [2, 3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 WO disclosed
WO-2020252015-A1 IMMUNOMODULATOR ANTIBODY DRUG CONJUGATES AND USES THEREOF SUTRO BIOPHARMA, INC. (US) 2020-12-17 WO disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20120225809-A1 COMPOUNDS FOR TREATING PAPILLOMA VIRUS INFECTION NANOVIR, LLC (US) 2012-09-06 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 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 (7 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-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A KISS1R 860/4885KDM4A 1367/4885KDM4C 1324/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B KISS1R 526/4885KDM4A 1781/4885KDM4C 1976/4885
US-20120225809-A1 COMPOUNDS FOR TREATING PAPILLOMA VIRUS INFECTION POLI, TLR3, PMAIP1 KISS1R 2259/4885KDM4A 601/4885KDM4C 1479/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 KISS1R 828/4885KDM4A 986/4885KDM4C 1017/4885
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 KISS1R 3474/4885KDM4A 446/4885KDM4C 605/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 KISS1R 715/4885KDM4A 919/4885KDM4C 1008/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA KISS1R 1610/4885KDM4A 978/4885KDM4C 1025/4885

“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.