SCHEMBL3937172

SCHEMBL3937172

O=Cc1cc(Cl)c(Cl)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
ALDH1A3 P47895 5/20 0.36
HSD17B10 Q99714 1/20 0.36
ERN1 O75460 1/20 0.35
ALDH3A1 P30838 3/20 0.33
VCAM1 P19320 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 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
SCHEMBL30589526 1.00 ALDH1A1 (0.46) ALDH1A1ALDH1A3HSD17B10ERN1ALDH3A1
SCHEMBL13144650 0.88 ALDH1A1 (0.41) ALDH1A1ALDH1A3HSD17B10ERN1ALDH3A1
SCHEMBL1312098 0.83 ALDH1A1 (0.56) ALDH1A1ALDH1A3HSD17B10ALDH3A1VCAM1
Fluoride SCHEMBL14358431 0.80 ALDH1A1 (0.54) ALDH1A1ALDH1A3HSD17B10ERN1ALDH3A1
SCHEMBL20607030 0.78 ERN1 (0.55) ALDH1A1ERN1CYP3A4TDP1
SCHEMBL3519353 0.78 CA1 (0.50) ALDH1A1ALDH1A3HSD17B10ERN1CYP3A4
SCHEMBL8950525 0.78 ALDH1A1 (0.52) ALDH1A1ALDH1A3HSD17B10ERN1ALDH3A1
SCHEMBL16149314 0.74 ALDH1A1 (0.48) ALDH1A1ALDH1A3HSD17B10ALDH3A1VCAM1
SCHEMBL31454771 0.74 ALDH1A1 (0.48) ALDH1A1ALDH1A3HSD17B10ALDH3A1VCAM1
SCHEMBL31063093 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP3A4MAPK1L3MBTL1

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
CN-110505874-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-09-26 CN disclosed
US-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-05-05 US disclosed
US-20180279612-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-10-04 US disclosed
WO-2018183601-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-10-04 WO disclosed
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed
EP-0289942-B1 PROCESS FOR PRODUCING FLUOROBENZALDEHYDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-07-07 EP disclosed
US-4845304-A CATALYTIC FLUORINATION OF HALOBENZALDEHYDE WITH POTASSIUM FLUORIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1989-07-04 US disclosed
EP-0289942-A2 Process for producing fluorobenzaldehydes IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1988-11-09 EP 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-20180279612-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ALDH1A1 443/4885ALDH1A3 492/4885HSD17B10 2420/4885
US-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ALDH1A1 443/4885ALDH1A3 492/4885HSD17B10 2420/4885

“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.