SCHEMBL21118545

SCHEMBL21118545

ClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.55
TSHR P16473 2/20 0.55
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
MAOA P21397 1/20 0.48
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GSTP1 P09211 1/20 0.41
SOS1 Q07889 1/20 0.41
CA9 Q16790 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PLA2G2A P14555 1/20 0.41
PGR P06401 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL7542333 0.84 TSHR (0.59) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL11745214 0.84 LTA4H (0.50) LTA4HTSHRNR1H2BAXMAOA
Water SCHEMBL11351130 0.82 TSHR (0.56) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL25862884 0.81 LTA4H (0.60) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL28467157 0.81 LTA4H (0.60) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL11556744 0.80 KDM4E (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL121800 0.80 CA4 (0.54) LTA4HTSHRCA1CA2CA9
SCHEMBL26862 0.80 CA4 (0.54) LTA4HTSHRCA1CA2CA9
SCHEMBL16698731 0.80 CA4 (0.54) LTA4HTSHRCA1CA2CA9
Chlorotriphenylmethane SCHEMBL16781670 0.80 TSHR (0.65) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634455-B2 Amino diacids containing peptide modifiers CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2023-04-25 US disclosed
US-20190177362-A1 AMINO DIACIDS CONTAINING PEPTIDE MODIFIERS CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2019-06-13 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 (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-20190177362-A1 AMINO DIACIDS CONTAINING PEPTIDE MODIFIERS PTMS, PEPD, VIP LTA4H 3183/4885TSHR 3792/4885NR1H2 4758/4885
US-11634455-B2 Amino diacids containing peptide modifiers PTMS, PEPD, VIP LTA4H 3183/4885TSHR 3792/4885NR1H2 4758/4885

“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.