SCHEMBL18501453

SCHEMBL18501453

CC(=O)CCCc1cccc(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TRPA1 O75762 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL7804267 0.84 IAPP (0.80) IAPP
Acetone SCHEMBL27863904 0.83 IAPP (0.50) IAPPALDH1A1KDM4EHPGDHSD17B10
Acetic Acid SCHEMBL9466871 0.81 BID (0.49) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18501464 0.81 IAPP (0.56) IAPPALDH1A1GABRA1GABRB2LMNA
SCHEMBL8400520 0.81 ALDH1A1 (0.54) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9508631 0.81 IAPP (0.42) IAPPALDH1A1KDM4EHPGDHSD17B10
Acetic Acid SCHEMBL28009227 0.80 BID (0.48) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30697416 0.79 FPR2 (0.50) IAPPALDH1A1HPGDLMNAFPR2
SCHEMBL6580321 0.79 NPSR1 (0.55) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13595160 0.79 FPR2 (0.50) IAPPALDH1A1HPGDLMNAFPR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005753-B2 Methods for producing beraprost and its derivatives LUNG BIOTECHNOLOGY PBC (US) 2018-06-26 — — US disclosed
US-20180037563-A1 PROCESS FOR MAKING BERAPROST UNITED THERAPEUTICS CORPORATION (US) 2018-02-08 — — US disclosed
US-9765047-B2 Process for making beraprost UNITED THERAPEUTICS CORPORATION (US) 2017-09-19 — — US disclosed
US-20170166545-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2017-06-15 — — US disclosed
US-20170044126-A1 PROCESS FOR MAKING BERAPROST UNITED THERAPEUTICS CORPORATION (US) 2017-02-16 — — 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 (4 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-20170166545-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES CYP51A1, COASY, BLVRB IAPP 1086/4885ALDH1A1 832/4885KDM4E 3407/4885
US-10005753-B2 Methods for producing beraprost and its derivatives CYP51A1, COASY, BLVRB IAPP 1086/4885ALDH1A1 832/4885KDM4E 3407/4885
US-20180037563-A1 PROCESS FOR MAKING BERAPROST DHPS, DDOST, COASY IAPP 1937/4885ALDH1A1 808/4885KDM4E 1543/4885
US-20170044126-A1 PROCESS FOR MAKING BERAPROST DHPS, DDOST, COASY IAPP 1937/4885ALDH1A1 808/4885KDM4E 1543/4885

“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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