SCHEMBL17471728

SCHEMBL17471728

Cc1ccc(CCCCCO)cc1I

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.44
▸ CA2 P00918 2/20 0.41
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ SKP2 Q13309 1/20 0.36

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
SCHEMBL17471702 0.98 BCHE (0.42) BCHECA2CYP4F2CYP4A11ACHE
SCHEMBL17471720 0.93 CYP4A11 (0.41) BCHECA2CYP4F2CYP4A11IGF1R
SCHEMBL17471715 0.85 KDM4E (0.47) CA2CYP4F2CYP4A11ALDH1A1S1PR1
SCHEMBL17471730 0.84 BCHE (0.42) BCHECA2CYP4F2CYP4A11ACHE
SCHEMBL17471727 0.79 SKP2 (0.47) BCHECA2CYP4F2CYP4A11ACHE
SCHEMBL2208303 0.77 S1PR1 (0.41) CA2CYP4F2CYP4A11ACHES1PR1
SCHEMBL31689465 0.77 S1PR1 (0.41) CA2CYP4F2CYP4A11ACHES1PR1
SCHEMBL16502363 0.76 HTR2A (0.47) IGF1RALOX15
SCHEMBL11639232 0.76 BCHE (0.45) BCHECA2CYP4F2CYP4A11ACHE
SCHEMBL17471707 0.76 CYP1A2 (0.53) ALDH1A1

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-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — 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-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 BCHE 4764/4885CA2 2954/4885CYP4F2 4781/4885

“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.

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