SCHEMBL9748345

SCHEMBL9748345

C=C(CF)C(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 2/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37

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
SCHEMBL28112968 0.94 TSHR (0.61) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL27548214 0.92 TSHR (0.65) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL28113442 0.92 TSHR (0.65) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL27876308 0.88 TSHR (0.42) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL375032 0.83 TSHR (0.57) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL28347637 0.82 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL198447 0.82 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL3081526 0.82 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL3477377 0.82 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL26126122 0.82 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2

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
CN-106433411-B Anti-fingerprint coating fluid and anti-fingerprint cured film 张家港康得新光电材料有限公司 2019-11-08 CN disclosed
US-20170340650-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2017-11-30 US disclosed
US-20170334946-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2017-11-23 US disclosed
CN-106187287-B A kind of scattered template for preparing microchannel haydite and the method for preparing microchannel haydite 陕西延长石油(集团)有限责任公司 2017-08-08 CN disclosed
US-9527882-B2 Triterpenoids with HIV maturation inhibitory activity ViiV Healthcare UK (No.4) Limited (GB) 2016-12-27 US disclosed
CN-106187287-A A kind of dispersion template preparing microchannel haydite and the method preparing microchannel haydite 陕西延长石油(集团)有限责任公司 2016-12-07 CN disclosed
WO-2016077561-A1 OXOLUPENE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 WO disclosed
CN-103154042-B Photoetching technique multipolymer and manufacture method thereof, anti-corrosion agent composition, forms the manufacture method of the substrate of pattern, the evaluation method of multipolymer, multipolymer composition analytic method MITSUBISHI RAYON CO.,LTD. (JP) 2015-12-16 CN disclosed
WO-2015157483-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-15 WO disclosed
US-20150291655-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-10-15 US disclosed
CN-103154042-A Copolymers for lithography and method for producing same, resist composition, method for producing substrate with pattern formed thereupon, method for evaluating copolymers, and method for analyzing copolymer compositions MITSUBISHI RAYON CO 2013-06-12 CN disclosed
CN-101823989-B Polymer for resist, resist composition, pattern forming method and material compound for resist polymer MITSUBISHI RAYON CO 2012-05-09 CN disclosed
CN-1930194-B Resist polymer, resist composition, method for producing pattern, and raw material compound for resist polymer MITSUBISHI RAYON CO 2011-03-30 CN disclosed
CN-101823989-A Resist with polymkeric substance, resist composition and method of manufacturing pattern and resist with the polymkeric substance starting compound MITSUBISHI RAYON CO 2010-09-08 CN disclosed
CN-1976962-B Resist polymer, process for production thereof, resist composition, and process for production of substrates with patterns thereon MITSUBISHI RAYON CO 2010-06-23 CN disclosed
CN-1976962-A Resist polymer, process for production thereof, resist composition, and process for production of substrates with patterns thereon MITSUBISHI RAYON CO (JP) 2007-06-06 CN disclosed
CN-1930194-A Resist polymer, resist composition, method for producing pattern, and raw material compound for resist polymer MITSUBISHI RAYON CO (JP) 2007-03-14 CN disclosed
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 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-20170334946-A1 OXOLUPENE DERIVATIVES BET1, CYP51A1, PGGT1B TSHR 4821/4885ALDH1A1 1759/4885HPGD 240/4885
US-20150291655-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS TSHR 4415/4885ALDH1A1 2104/4885HPGD 2143/4885
US-20170340650-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, CYP8B1, LSS TSHR 4415/4885ALDH1A1 2104/4885HPGD 2143/4885

“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.