SCHEMBL7712867

SCHEMBL7712867

COC(=O)CCCC(C)Br

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
FPR2 P25090 2/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
SLC1A1 P43005 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11821953 0.92 TSHR (0.54) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL1483381 0.86
SCHEMBL21177033 0.84 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL130826 0.82 TSHR (0.64) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL27210237 0.81 TSHR (0.56) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL4958389 0.80 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL27274544 0.80 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL4178222 0.79 CYP1A2 (0.53) TSHRALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL3043060 0.79 TSHR (0.54) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL7887199 0.79 TSHR (0.54) TSHRLMNAALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
WO-2018010932-A1 CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2018-01-18 WO disclosed
EP-3269699-A1 CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS Fundació Institut Català D'investigació Quimica (ES) 2018-01-17 EP disclosed
EP-3269699-A1 CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS Fundació Institut Català D'investigació Quimica (ES) 2018-01-17 EP disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
EP-0646019-B9 Biotin-DOTA conjugates and their use in pretargeting methods NEORX CORP (US) 2002-12-18 EP disclosed
EP-0646019-B1 Biotin-DOTA conjugates and their use in pretargeting methods NEORX CORP (US) 2001-12-12 EP disclosed
EP-0453966-B1 Ferroelectric liquid crystal display with high contrast and high brightness HOECHST AG (DE) 1997-02-26 EP disclosed
US-5384168-A Multilayer element with electrodes HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
EP-0453966-A2 Ferroelectric liquid crystal display with high contrast and high brightness HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-30 EP disclosed
US-4281010-A FOR INCREASING BLOOD CIRCULATION DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-07-28 US disclosed
US-4254269-A PRECURSERS FOR CARDIOVASCULAR DRUGS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US disclosed
US-4206213-A IMPROVING PERIPHERAL AND CEREBRAL CIRCULATION DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-06-03 US disclosed
US-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4048328-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US disclosed
US-3987081-A ALKYL DERIVATIVES OF PROSTANOIC ACIDS AND PREPARATION THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1976-10-19 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 (1 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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 TSHR 284/4885LMNA 1147/4885ALDH1A1 328/4885

“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.