SCHEMBL2428839

SCHEMBL2428839

COC(=O)CCCCCI

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 4/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DGKA P23743 1/20 0.40

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
SCHEMBL1744907 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL11857583 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL4346958 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL28070085 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL11512940 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL11865856 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL9244508 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL4334523 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL7208906 0.98 TSHR (0.61) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL5098798 0.98

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712467-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-08-01 US disclosed
CN-112979693-B Alkyl trimethyl tin compounds, and preparation method and application thereof 天津师范大学 2023-03-28 CN disclosed
US-20220362375-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-17 US disclosed
US-11357848-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-14 US disclosed
CN-112979693-A Alkyl trimethyl tin compounds, and preparation method and application thereof 天津师范大学 2021-06-18 CN disclosed
US-20180125969-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-10 US disclosed
US-9884114-B2 Methods of rational nicotine hapten design and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-06 US disclosed
EP-2027081-B1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN INC (US) 2017-05-03 EP disclosed
US-20160375131-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-12-29 US disclosed
US-20150342961-A1 USE OF PROSTAGLANDIN E1 (PGE1) AND MISOPROSTOL FOR TREATING CHRONIC MYELOGENOUS/MYELOID LEUKEMIA (CML) Xue hai-hui (US) 2015-12-03 US disclosed
WO-1994002478-A1 (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1994-02-03 WO disclosed
US-5266724-A Magnetic recording media lubricant MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1993-11-30 US disclosed
US-5188747-A Utilized in magnetic recording media for lubrication and rust prevention MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0473871-A2 Fluorine-containing compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-03-11 EP disclosed
EP-0178139-B1 PROCESS FOR PRODUCING 2,3-DISUBSTITUTED -4-SUBSTITUTED CYCLOPENTANONES, ENANTIOMORPHS, OR MIXTURES THEREOF TEIJIN LIMITED (JP) 1989-07-05 EP disclosed
EP-0178139-A2 Process for producing 2,3-disubstituted -4-substituted cyclopentanones, enantiomorphs, or mixtures thereof TEIJIN LIMITED (JP) 1986-04-16 EP disclosed
US-3996263-A ANTIULCER SANKYO COMPANY LIMITED (JA) 1976-12-07 US disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3983152-A OXYTOCICS SANKYO COMPANY LIMITED (JA) 1976-09-28 US disclosed
US-3953499-A 8,12-Dialkyl-PGE, and PGF1.sub.α THE UPJOHN COMPANY (US) 1976-04-27 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 (5 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-20220362375-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NAPRT, CHRNG, CHRNB2 TSHR 1406/4885LMNA 4714/4885ALDH1A1 655/4885
US-11712467-B2 Methods of rational nicotine hapten design and uses thereof NAPRT, CHRNG, CHRNB2 TSHR 1406/4885LMNA 4714/4885ALDH1A1 655/4885
US-20160375131-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NAPRT, CHRNG, CHRNB2 TSHR 1406/4885LMNA 4714/4885ALDH1A1 655/4885
US-11357848-B2 Methods of rational nicotine hapten design and uses thereof NAPRT, CHRNG, CHRNB2 TSHR 1406/4885LMNA 4714/4885ALDH1A1 655/4885
US-20180125969-A1 METHODS OF RATIONAL NICOTINE HAPTEN DESIGN AND USES THEREOF NAPRT, CHRNG, CHRNB2 TSHR 1406/4885LMNA 4714/4885ALDH1A1 655/4885

“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.