SCHEMBL22829802

SCHEMBL22829802

Cc1ccccc1[P@](c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
KCNN4 O15554 1/20 0.30
DRD1 P21728 2/20 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
SCHEMBL22829801 1.00 ACHE (0.38) ACHETSHRCYP3A4TDP1ALDH1A1
SCHEMBL1155735 0.89 TSHR (0.43) ACHETSHRCYP3A4TDP1ALDH1A1
SCHEMBL301240 0.81 CYP3A4 (0.45) ACHETSHRCYP3A4TDP1ALDH1A1
SCHEMBL10412404 0.79 CYP3A4 (0.43) ACHETSHRCYP3A4TDP1ALDH1A1
Hydrochloric Acid SCHEMBL28963440 0.79 CYP3A4 (0.43) ACHETSHRCYP3A4TDP1ALDH1A1
Hydrochloric Acid SCHEMBL1581895 0.77 CYP3A4 (0.41) ACHETSHRCYP3A4TDP1ALDH1A1
Bromide SCHEMBL1582990 0.77 CYP3A4 (0.41) ACHETSHRCYP3A4TDP1ALDH1A1
SCHEMBL18979106 0.75 RIPK1 (0.34) TSHRCYP3A4TDP1CA1CA2
SCHEMBL1156372 0.75 TSHR (0.43) ACHETSHRCYP3A4TDP1ALDH1A1
SCHEMBL49618 0.75 CYP3A4 (0.52) ACHETSHRCYP3A4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200407381-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Université de Bourgogne (FR) 2020-12-31 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 (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-20200407381-A1 C-BULKY P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS PLCG1, PLCG2, ACHE ACHE 3/4885TSHR 3498/4885CYP3A4 834/4885

“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.