SCHEMBL8454471

SCHEMBL8454471

O=C(Cl)OCOCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
SLC1A1 P43005 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL960 0.84 ALDH1A1 (1.00) ALDH1A1TSHRTDP1MAPK1L3MBTL1
Benzene SCHEMBL28101078 0.84 ALDH1A1 (1.00) ALDH1A1TSHRTDP1MAPK1L3MBTL1
SCHEMBL343443 0.83 ALDH1A1 (0.69) ALDH1A1TSHRTDP1MAPK1L3MBTL1
SCHEMBL28942580 0.82 ALDH1A1 (0.96) ALDH1A1TSHRTDP1MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL28006384 0.82 ALDH1A1 (0.96) ALDH1A1TSHRTDP1MAPK1L3MBTL1
SCHEMBL27316763 0.82 ALDH1A1 (0.96) ALDH1A1TSHRTDP1MAPK1L3MBTL1
Hydrogen Sulfide SCHEMBL27839115 0.82 ALDH1A1 (0.96) ALDH1A1TSHRTDP1MAPK1L3MBTL1
SCHEMBL342830 0.81 ALDH1A1 (0.67) ALDH1A1TSHRTDP1MAPK1L3MBTL1
SCHEMBL7185515 0.81 ALDH1A1 (0.71) ALDH1A1TSHRTDP1MAPK1L3MBTL1
SCHEMBL7881561 0.81 TSHR (0.52) ALDH1A1TSHRTDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-20200323209-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD. (GB) 2020-10-15 US disclosed
EP-0627942-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1999-09-15 EP disclosed
US-5795562-A BIODEGRADABLE POLYMER AS CONTRAST AGENTS FOR DIAGNOSTIC IMAGING NYCOMED IMAGING AS (NO) 1998-08-18 US disclosed
US-5676925-A USING POLYESTER OR ACRYLATE POLYMERS NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5674468-A A BIODEGRADABLE POLYESTER; USEFUL IN DIAGNOSTIC APPLICATIONS SUCH AS ULTRASOUND AND MAGNETIC RESONANCE IMAGING NYCOMED IMAGING AS (NO) 1997-10-07 US disclosed
EP-0627942-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-12-14 EP disclosed
WO-1993017718-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 1993-09-16 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 (2 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-20200323209-A1 AGRICULTURAL CHEMICALS DDT, CYP4X1, CYP1A2 ALDH1A1 365/4885TSHR 2988/4885TDP1 1947/4885
US-11641858-B2 Agricultural chemicals DDT, CYP4X1, CYP1A2 ALDH1A1 365/4885TSHR 2988/4885TDP1 1947/4885

“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.