SCHEMBL953328

SCHEMBL953328

O=C(O)c1ccccc1CCI

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.66
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 1/20 0.50
HMGB1 P09429 2/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
ALOX12 P18054 1/20 0.44

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
SCHEMBL30365583 0.87 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL70392 0.87 FOLH1 (0.76) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL10716112 0.85 FOLH1 (0.68) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL11244449 0.85 FOLH1 (0.58) FOLH1ALDH1A1ALOX15TSHRSLC16A3
SCHEMBL31474045 0.83 FOLH1 (0.70) FOLH1ALDH1A1ALOX15TSHRHMGB1
Ethylene SCHEMBL18893737 0.83 FOLH1 (0.70) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL729909 0.83 FOLH1 (0.70) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL1615443 0.83 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL15788224 0.82 ALDH1A1 (0.47) FOLH1ALDH1A1ALOX15TSHRHPGD
SCHEMBL77642 0.81 FOLH1 (0.68) FOLH1ALDH1A1ALOX15TSHRHMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
CN-1231666-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 1999-10-13 CN 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 FOLH1 2925/4885ALDH1A1 1687/4885ALOX15 4056/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 FOLH1 4451/4885ALDH1A1 728/4885ALOX15 423/4885

“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.