SCHEMBL18526227

SCHEMBL18526227

CC1(C)C2=CC(C)(N3CCC3)C=CC2=C(c2cc(C(=O)O)ccc2C(=O)O)c2ccc(N3CCC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.35
▸ IP6K1 Q92551 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ F10 P00742 1/20 0.33
▸ RARA P10276 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ RARB P10826 2/20 0.31
▸ IP6K3 Q96PC2 1/20 0.31
▸ IP6K2 Q9UHH9 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ RXRA P19793 1/20 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
SCHEMBL18526226 0.89 IP6K1 (0.36) SERPINE1IP6K1
SCHEMBL18526228 0.83 SERPINE1 (0.31) SERPINE1
SCHEMBL18526246 0.82 IP6K1 (0.34) SERPINE1IP6K1KDM4EMEN1ALDH1A1
SCHEMBL18525778 0.82 IP6K1 (0.35) SERPINE1IP6K1KDM4EMEN1ALDH1A1
SCHEMBL26751936 0.81 IP6K1 (0.34) SERPINE1IP6K1KDM4EMEN1ALDH1A1
SCHEMBL24012428 0.79 IP6K1 (0.36) SERPINE1IP6K1KDM4EMEN1ALDH1A1
SCHEMBL18526318 0.78 — —
SCHEMBL18526229 0.77 PDK2 (0.30) —
SCHEMBL18525805 0.76 MAPT (0.33) SERPINE1IP6K1KDM4EMEN1ALDH1A1
SCHEMBL18526316 0.74 — —

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-20170045501-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2017-02-16 — — 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-20170045501-A1 AZETIDINE-SUBSTITUTED FLUORESCENT COMPOUNDS AANAT, HNMT, CHAT SERPINE1 3254/4885IP6K1 4353/4885KDM4E 4097/4885

“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.

Send feedback