SCHEMBL860002

SCHEMBL860002

NC(=O)CCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
AKR1B1 P15121 1/20 0.52
HSPA5 P11021 1/20 0.48
IAPP P10997 3/20 0.47
MPO P05164 2/20 0.46
IDO1 P14902 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
TYR P14679 1/20 0.44
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MGLL Q99685 1/20 0.43
MTNR1A P48039 1/20 0.43

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
SCHEMBL9321175 0.87 MTNR1A (0.47) IAPPMPOKDM4EALDH1A1MTNR1A
SCHEMBL30203505 0.84 IAPP (0.68) TAAR1AKR1B1IAPPMPOALDH1A1
SCHEMBL11751573 0.83 IAPP (0.59) TAAR1AKR1B1HSPA5IAPPMPO
SCHEMBL35529 0.81 AKR1B1 (0.65) TAAR1AKR1B1HSPA5IAPPMPO
SCHEMBL29373796 0.81 AKR1B1 (0.65) TAAR1AKR1B1HSPA5IAPPMPO
SCHEMBL7128255 0.81 AKR1B1 (0.65) TAAR1AKR1B1HSPA5IAPPMPO
Methane SCHEMBL1275762 0.79 AKR1B1 (0.63) TAAR1AKR1B1HSPA5IAPPMPO
SCHEMBL269353 0.79 IAPP (0.72) TAAR1AKR1B1HSPA5IAPPMPO
SCHEMBL8967245 0.79 CYP4F2 (0.43) MPOKDM4EMTNR1A
SCHEMBL29934495 0.79 IAPP (0.72) TAAR1AKR1B1HSPA5IAPPMPO

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166841-A1 Improved Performance of Carbon Nanotube Based Polymeric Materials SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2024-05-23 US disclosed
WO-2023244831-A1 IRON COMPLEXES AND USES THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-12-21 WO disclosed
US-11725075-B2 Thermoplastic polyurethane BASF SE (DE) 2023-08-15 US disclosed
US-11535697-B2 Thermoplastic polyurethane BASF SE (DE) 2022-12-27 US disclosed
US-20220033566-A1 THERMOPLASTIC POLYURETHANE BASF SE (DE) 2022-02-03 US disclosed
US-10941429-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2021-03-09 US disclosed
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 US disclosed
US-20200231739-A1 THERMOPLASTIC POLYURETHANE BASF SE (DE) 2020-07-23 US disclosed
US-20200223863-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-07-16 US disclosed
US-20200188476-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2020-06-18 US disclosed
EP-0968076-A1 PROCESS FOR CONTINUOUSLY PRODUCING POLYESTER ARTICLES WITH SCRAP RECYCLE IN A CONTINUOUS MELT-TO-PREFORM PROCESS EASTMAN CHEMICAL COMPANY (US) 2000-01-05 EP disclosed
WO-1999052903-A1 PRODRUGS OF BENZOFURANYLMETHYL CARBAMATE NK1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-10-21 WO disclosed
US-5817529-A HAPTENS, ANTIGENS, IMMUNOASSAY, LABELS ROCHE DIAGNOSTIC SYSTEMS, INC. (US) 1998-10-06 US disclosed
WO-1998041375-A1 PROCESS FOR CONTINUOUSLY PRODUCING POLYESTER ARTICLES WITH SCRAP RECYCLE IN A CONTINUOUS MELT-TO-PREFORM PROCESS EASTMAN CHEMICAL COMPANY (US) 1998-09-24 WO disclosed
WO-1998041559-A1 PROCESS FOR THE MODIFICATION OF A POLYESTER MELT USED IN A CONTINUOUS MELT-TO-PREFORM PROCESS EASTMAN CHEMICAL COMPANY (US) 1998-09-24 WO disclosed
US-5672584-A MODIFIED WITH END GROUPS THE UNIVERSITY OF KANSAS (US) 1997-09-30 US disclosed
EP-0558959-B1 Phosphonooxy and carbonate derivatives of taxol BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
EP-0747707-A1 Propoxyphene derivatives for immunoassay reagents F. HOFFMANN-LA ROCHE AG (CH) 1996-12-11 EP disclosed
US-5272171-A Phosphonooxy and carbonate derivatives of taxol BRISTOL-MYERS SQUIBB COMPANY (US) 1993-12-21 US disclosed
EP-0558959-A1 Phosphonooxy and carbonate derivatives of taxol Bristol-Myers Squibb Company (US) 1993-09-08 EP 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 (3 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-20200223863-A1 SYNTHESIS OF HALICHONDRIN ANALOGS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KIF5C, KIF23 TAAR1 4779/4885AKR1B1 565/4885HSPA5 825/4885
US-20200188476-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF DDOST, MGAM, MSN TAAR1 4677/4885AKR1B1 4345/4885HSPA5 1614/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 TAAR1 4121/4885AKR1B1 1391/4885HSPA5 4395/4885

“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.