SCHEMBL11512940

SCHEMBL11512940

COC(=O)CCCCCCI

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
SCHEMBL11865856 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL9244508 1.00 TSHR (0.64) TSHRLMNAALDH1A1KMT2ARECQL
SCHEMBL2428839 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4163106-A Prostaglandin precursors and processes for preparing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-07-31 US claimed
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy KARUS THERAPEUTICS LIMITED (GB) 2019-09-10 US disclosed
US-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2017-11-02 US disclosed
EP-3212625-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY Karus Therapeutics Ltd (GB) 2017-09-06 EP disclosed
CN-107001340-A Two heteroaryl histone deacetylase inhibitors and its therapeutical uses 卡鲁斯治疗有限公司 2017-08-01 CN disclosed
WO-2016067040-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LTD (GB) 2016-05-06 WO disclosed
US-7985767-B2 Glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; carboxy-functional amides or sulfonamide and carboxy bioisosteres thereof; 5-(-3-(N-(4-(1-hydroxyhexyl)phenyl)acetamido)butyl)thiophene-2-carboxylic acid for example ALLERGAN, INC. (US) 2011-07-26 US disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 US disclosed
US-4169199-A Precursors for prostaglandin analogue and process for preparing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-09-25 US disclosed
US-4163106-A Prostaglandin precursors and processes for preparing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-07-31 US disclosed
US-3996263-A ANTIULCER SANKYO COMPANY LIMITED (JA) 1976-12-07 US disclosed
US-3993773-A Control of mites with esters of cyclopropane substituted carboxylic acids ZOECON CORPORATION (US) 1976-11-23 US disclosed
US-3992412-A 2α-(2-Carboxy-2-oxoethyl)-3β-hydroxy-5-oxo-1β-cyclopentaneheptanoic acid and process MERCK & CO., INC. (US) 1976-11-16 US disclosed
US-3992411-A 2α-Formyl-3β-[(methoxalyl)oxy]-5-oxo-1β-cyclopentaneheptanoic acid and process MERCK & CO., INC. (US) 1976-11-16 US disclosed
US-3991083-A 2α-(2-Loweralkanoyloxy-2-carboxyvinyl)-3β-hydroxy-5-oxo-1β-c MERCK & CO., INC. (US) 1976-11-09 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-3969384-A Esters of cyclopropane alkanoic acids ZOECON CORPORATION (US) 1976-07-13 US disclosed
US-3960907-A MITICIDES ZOECON CORPORATION (US) 1976-06-01 US disclosed
US-3954832-A 16-And 16,16-methyl and ethyl substituted PGA1 -type compounds THE UPJOHN COMPANY (US) 1976-05-04 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 (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-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY HDAC1, HDAC11, HDAC7 TSHR 3353/4885LMNA 1428/4885ALDH1A1 1057/4885
US-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 TSHR 2420/4885LMNA 3086/4885ALDH1A1 357/4885
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy HDAC1, HDAC11, HDAC7 TSHR 3353/4885LMNA 1428/4885ALDH1A1 1057/4885

“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.