SCHEMBL29975167

SCHEMBL29975167

c1ccc2cc3cc4cc5cc6cc7cc8cc9cc%10cc%11c(ccc%12cc%13cc%14cc%15cc%16cc%17cc%18cc%19cc%20cc%21ccccc%21cc%20cc%19cc%18cc%17cc%16cc%15cc%14cc%13cc%12%11)cc%10cc9cc8cc7cc6cc5cc4cc3cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
HSD17B10 Q99714 6/20 0.68
HIF1A Q16665 2/20 0.68
CYP1B1 Q16678 1/20 0.68
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HBB P68871 1/20 0.55
CYP1A2 P05177 5/20 0.48
HPGD P15428 2/20 0.48
CYP2A6 P11509 5/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL29569154 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL29569227 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL30087026 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL15063036 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL31127473 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL190685 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL25966 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL4850502 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL29418187 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL5692997 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1

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-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
US-20220315562-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-10-06 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 (2 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-20220315562-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ALDH1A1 2717/4885HSD17B10 1764/4885HIF1A 1666/4885
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH ALDH1A1 2717/4885HSD17B10 1764/4885HIF1A 1666/4885

“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.