SCHEMBL9705800

SCHEMBL9705800

O=C(O)C(CCCl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33

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 SCHEMBL20474536 0.83 TSHR (0.32) ENPEPTSHRLMNA
SCHEMBL2940408 0.83 CHRM1 (0.35) ENPEPTSHRLMNATDP1CHRM1
SCHEMBL30927189 0.83 PMP22 (0.36) ENPEPTSHRLMNAALDH1A1CYP1A2
SCHEMBL4128716 0.81 ENPEP (0.37) ENPEPTSHRLMNAALDH1A1TDP1
SCHEMBL5856024 0.79 TBXAS1 (0.36) ENPEPTSHRLMNAALDH1A1TDP1
SCHEMBL11059588 0.79 TET2 (0.33) TET2TET3GRIK1GRIK2GRM1
SCHEMBL28123 0.78 ENPEP (0.55) ENPEPTSHRLMNAALDH1A1TDP1
SCHEMBL18542801 0.78 TSHR (0.30) TSHR
SCHEMBL28314785 0.77 LTA4H (0.34) TET2KDM4AKDM4CKDM2AFOLH1
SCHEMBL6474908 0.77 TBXAS1 (0.39) ENPEPTSHRLMNAALDH1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781128-B2 Methods for producing hybrid polyketide synthase genes and polyketides ISOMERASE THERAPEUTICS LIMITED (GB) 2023-10-10 US disclosed
EP-3960857-A1 NOVEL METHODS Isomerase Therapeutics Limited (GB) 2022-03-02 EP disclosed
EP-3491132-B1 METHODS AND CONSTRUCTS FOR PRODUCING HYBRID POLYKETIDES (PKS) OF A TYPE 1 MODULAR PKS OR HYBRID MODULAR NON RIBOSOMAL PEPTIDES (NRPS) ISOMERASE THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed
EP-3491132-A1 NOVEL METHODS Isomerase Therapeutics Limited (GB) 2019-06-05 EP disclosed
WO-2018020272-A1 NOVEL METHODS ISOMERASE THERAPEUTICS LIMITED (GB) 2018-02-01 WO disclosed
US-8815892-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2014-08-26 US disclosed
US-20130197046-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2013-08-01 US disclosed
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 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 (1 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-20130197046-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 ENPEP 3150/4885TSHR 872/4885LMNA 1959/4885

“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.