SCHEMBL7923923

SCHEMBL7923923

COC1=C(Br)C(=O)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL1912779 0.95 BRD4 (0.32) EGFRALDH1A1GAAHPGDMAPT
SCHEMBL427425 0.86
SCHEMBL7932132 0.77 BRD4 (0.31)
SCHEMBL7933899 0.73 EGFR (0.34) EGFRALDH1A1GAANPC1HPGD
SCHEMBL1191143 0.72 BRD4 (0.34) ALDH1A1HPGD
SCHEMBL8989855 0.71
SCHEMBL12871708 0.70 ELANE (0.36) EGFRALDH1A1GAAHPGDMAPT
SCHEMBL10881461 0.68 ALDH1A1 (0.32) EGFRALDH1A1GAAHPGDRAB9A
SCHEMBL19846937 0.68 TP53 (0.31) EGFRALDH1A1GAAHPGDMAPT
SCHEMBL12871718 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316634-B2 REACTING 3-ALKOXY/HYDROXY-2-HALO-CYCLOHEPTEN-1-ONE WITH ALKYLAMINIDINE HALIDE TO FORM CYCLOHEPTIMIDAZOLE COMPOUND KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2001-11-13 US disclosed
US-6278027-B1 AS CHEMICAL INTERMEDIATES IN PREPARATION OF DRUGS SUCH AS CYCLOHEPTIMIDAZOLE DERIVATIVES KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2001-08-21 US disclosed
US-20010008944-A1 Method for preparing cycloheptimidazoles TOMIYAMA TSUYOSHI (JP) 2001-07-19 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-20010008944-A1 Method for preparing cycloheptimidazoles DHFR, DHPS, MTHFD1 EGFR 3448/4885ALDH1A1 465/4885GAA 3668/4885

“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.