SCHEMBL17121690

SCHEMBL17121690

CCC(=O)CCc1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IAPP P10997 5/20 0.74
HTR1A P08908 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
AKR1B1 P15121 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
HSPA5 P11021 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MPO P05164 1/20 0.43
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11751573 0.88 IAPP (0.59) IAPPHTR1ATAAR1AKR1B1NPC1
SCHEMBL8005173 0.87 IAPP (0.75) IAPPHTR1ATAAR1AKR1B1NPC1
SCHEMBL27564988 0.82 IAPP (0.55) IAPPHTR1ATAAR1AKR1B1HSPA5
SCHEMBL8597351 0.81 IAPP (0.59) IAPPTAAR1NPC1RAB9ACYP4F2
SCHEMBL14935427 0.81 IAPP (0.59) IAPPTAAR1NPC1RAB9ACYP4F2
SCHEMBL30610413 0.80 AKR1B1 (0.63) IAPPHTR1ATAAR1AKR1B1HSPA5
SCHEMBL156141 0.80 AKR1B1 (0.63) IAPPHTR1ATAAR1AKR1B1HSPA5
SCHEMBL269353 0.80 IAPP (0.72) IAPPHTR1ATAAR1AKR1B1NPC1
SCHEMBL29934495 0.80 IAPP (0.72) IAPPHTR1ATAAR1AKR1B1NPC1
Butane SCHEMBL28254816 0.79 AKR1B1 (0.57) IAPPHTR1ATAAR1AKR1B1NPC1

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
CN-117264697-A Extraction of polyunsaturated fatty acid from marine microalgae 裘海红 2023-12-22 CN disclosed
CN-115894515-A Method for integrated extraction, enrichment, separation and purification of effective components of ginkgo leaves in full industrial chain 李玉山 2023-04-04 CN disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 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-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 IAPP 814/4885HTR1A 234/4885TAAR1 246/4885

“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.