SCHEMBL21993950

SCHEMBL21993950

COc1ccc2c(c1)C(O)=CCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX12 P18054 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
APP P05067 1/20 0.42
SNCA P37840 1/20 0.42
KLK7 P49862 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL28013975 0.80 CYP19A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12
SCHEMBL4217666 0.76 RAB9A (0.43) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12
SCHEMBL11455497 0.75 CYP19A1 (0.44) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12
SCHEMBL31426296 0.74 AR (0.35) CYP3A4
SCHEMBL21993945 0.73 TRPA1 (0.40) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6799195 0.73 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12
SCHEMBL28013299 0.73 CYP19A1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL903245 0.73 MAPT (0.46) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12
SCHEMBL22536181 0.73 CYP19A1 (0.47) MAPTALDH1A1ALOX12CYP19A1ALOX15
Hydrochloric Acid SCHEMBL10646143 0.71 TDP1 (0.39) MAPTALDH1A1KDM4ESMN1; SMN2ALOX12

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-11141402-B2 Compounds useful in inhibiting human trefoil factor 3 NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-10-12 US disclosed
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-05-14 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-11141402-B2 Compounds useful in inhibiting human trefoil factor 3 ETF1, F3, DNASE1L3 MAPT 4590/4885ALDH1A1 3051/4885KDM4E 3966/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 MAPT 4590/4885ALDH1A1 3051/4885KDM4E 3966/4885

“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.