SCHEMBL18364477

SCHEMBL18364477

C=C(O)c1ccc(C23CC4(c5ccc(C(=O)O)cc5)CC(c5ccc(C(=O)O)cc5)(C2)CC(c2ccc(C(=O)O)cc2)(C3)C4)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
SRD5A2 P31213 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
DRD1 P21728 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TPMT P51580 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL18364480 0.95 BCL2L1 (0.44) TSHRTP53SRD5A2CA1CA2
SCHEMBL5084654 0.90 TSHR (0.57) TSHRTP53SRD5A2CA1CA2
SCHEMBL16749648 0.84 BCL2L1 (0.52) TSHRTP53SRD5A2CA1CA2
SCHEMBL5081784 0.84 TSHR (0.52) TSHRTP53SRD5A2CA1CA2
SCHEMBL15132950 0.81 TSHR (0.71) TSHRTP53SRD5A2CA1CA2
SCHEMBL5082233 0.81 RXRA (0.47) TSHRTP53SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL11550092 0.79 RXRA (0.46) TSHRTP53SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL22081978 0.78 BCL2L1 (0.46) TSHRTP53SRD5A2CA1CA2
SCHEMBL5084601 0.77 TSHR (0.46) TSHRTP53SRD5A2CA1CA2
SCHEMBL5470752 0.77 TSHR (0.50) TSHRTP53CA1CA2CA12

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-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-12 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-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS HAO2, ASF1A, FTO TSHR 4648/4885TP53 1115/4885SRD5A2 2134/4885

“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.