SCHEMBL13469392

SCHEMBL13469392

O=C(/C=C/C=C/c1ccc2c(c1)CCC2)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.67
▸ MAOB P27338 3/20 0.67
▸ ALDH1A1 P00352 6/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ TRPV1 Q8NER1 4/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ HPGD P15428 3/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ GABRA1 P14867 2/20 0.62
▸ GABRB2 P47870 2/20 0.62
▸ CTSD P07339 1/20 0.62
▸ ABCB1 P08183 1/20 0.62
▸ MAOA P21397 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ DHODH Q02127 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ LMNA P02545 1/20 0.62

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
SCHEMBL10932270 0.81 ALOX5 (1.00) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL29738484 0.81 ALOX5 (1.00) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL17340469 0.81 ALOX5 (1.00) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL29738485 0.80 ALOX5 (0.97) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL4199453 0.79 ALDH1A1 (0.65) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL4199451 0.79 ALDH1A1 (0.65) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL23728298 0.79 ALOX5 (0.72) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL4919407 0.79 ALOX5 (0.72) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL29738482 0.77 ALDH1A1 (0.70) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1
SCHEMBL29738483 0.77 ALOX5 (0.66) ALOX5MAOBALDH1A1SMN1; SMN2TRPV1

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-20220000964-A1 Compositions and Methods for Regulating Homeostasis of Chondrocytes, Extracellular Matrix, Articular Cartilage, and Phenotype of Arthritis UNIGEN, INC. (US) 2022-01-06 — — US disclosed
US-8840938-B2 Bioavailability enhancing composition WARNOCK W MATTHEW (US) 2014-09-23 — — US disclosed
US-20120263808-A1 BIOAVAILABILITY ENHANCING COMPOUND WARNOCK W MATTHEW (US) 2012-10-18 — — 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-20220000964-A1 Compositions and Methods for Regulating Homeostasis of Chondrocytes, Extracellular Matrix, Articular Cartilage, and Phenotype of Arthritis COL2A1, COL1A1, CKAP4 ALOX5 3465/4885MAOB 3518/4885ALDH1A1 1095/4885

“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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