SCHEMBL1404913

SCHEMBL1404913

CC(=O)CCc1cccc(C(=O)Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP4F2 P78329 3/20 0.45
▸ CYP4A11 Q02928 3/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ IAPP P10997 1/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ PPARG P37231 2/20 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
SCHEMBL8583110 0.86 ALDH1A1 (0.60) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL14027395 0.86 CYP4F2 (0.44) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL15093745 0.84 KEAP1 (0.57) ALDH1A1SLC6A3SMN1; SMN2FOLH1PPARG
SCHEMBL1405098 0.84 ALDH1A1 (0.63) ALDH1A1RAB9ATP53SMN1; SMN2FOLH1
SCHEMBL18768957 0.83 ALDH1A1 (0.72) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL1405064 0.83 ALDH1A1 (0.56) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL3892580 0.82 KAT6A (0.50) ALDH1A1CYP4F2CYP4A11KDM4ETP53
SCHEMBL11138073 0.81 ALDH1A1 (0.65) ALDH1A1CYP4F2CYP4A11KDM4ELMNA
SCHEMBL5207992 0.80 CYP4F2 (0.45) ALDH1A1CYP4F2CYP4A11TSHRFOLH1
SCHEMBL1405200 0.80 SLC7A5 (0.58) ALDH1A1CYP4F2CYP4A11NPC1RAB9A

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
EP-2079747-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LTD (GB) 2011-03-09 — — EP disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 — — 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-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C ALDH1A1 295/4885CYP4F2 63/4885CYP4A11 169/4885

“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