SCHEMBL1430472

SCHEMBL1430472

CCCCCc1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ ESR1 P03372 2/20 0.59
▸ ADRA2A P08913 2/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59
▸ TACR2 P21452 2/20 0.59
▸ SLC6A2 P23975 2/20 0.59
▸ SLC6A4 P31645 2/20 0.59
▸ SLC6A3 Q01959 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ SHBG P04278 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HSPD1 P10809 1/20 0.59
▸ ADRB3 P13945 1/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ HSPE1 P61604 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ TST Q16762 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59

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
SCHEMBL3941872 0.98 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL27362553 0.98 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL2615717 0.98 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL9717309 0.98 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL13564082 0.98 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL2615718 0.98 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
Ammonia Solution, Strong SCHEMBL7005637 0.96 ESR1 (0.61) ALDH1A1ESR1ADRA2AADORA3TACR2
Ethyne SCHEMBL27743285 0.96 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8037699 0.94 RARB (0.58) ALDH1A1ESR1ADRA2AADORA3TACR2
Methyl Alcohol SCHEMBL27692953 0.94 ESR1 (0.64) ALDH1A1ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060177742-A1 Nonaqueous electrolytic solution for lithium secondary battery and lithium secondary battery using the same MU IONIC SOLUTIONS CORPORATION (JP) 2006-08-10 — — US claimed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 — — US claimed
US-4025512-A ANTIDEPRESSANTS ABBOTT LABORATORIES (US) 1977-05-24 — — US claimed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS UNIV JEFFERSON (US) 2023-04-27 — — US disclosed
US-11584852-B2 Compound and colored resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-02-21 — — US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — US disclosed
US-20210002487-A1 COMPOUND AND COLORED RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-07 — — US disclosed
CN-111320646-A 1, 4-eneyne compound and preparation method and application thereof 广东工业大学 2020-06-23 — — CN disclosed
EP-3533470-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS Kyoto University (JP) 2019-09-04 — — EP disclosed
CN-109872830-A Production method for the surface modifier of metal electrode, surface-modified metal electrode and surface-modified metal electrode 信越化学工业株式会社 2019-06-11 — — CN disclosed
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 — — US disclosed
CN-1038586-C Pyrazine derivatives and process for preparing same OTSUKA PHARMA CO LTD (JP) 1998-06-03 — — CN disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 — — CN disclosed
CN-1112364-A Piperazine derivatives and salts thereof OTSUKA PHARMA CO LTD (JP) 1995-11-22 — — CN disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 — — CN disclosed
CN-1094028-A Selective PDE enzyme (IV) inhibitor catechol diether class PFIZER (US) 1994-10-26 — — CN disclosed
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 — — CN disclosed
US-4160036-A ADRENERGIC STIMULANTS ALLEN & HANBURYS LIMITED (GB) 1979-07-03 — — US disclosed
US-4096265-A HYPOTENSIVE AGENTS SHARPS ASSOCIATES (US) 1978-06-20 — — 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885ESR1 2409/4885ADRA2A 4382/4885
US-20230127965-A1 METHODS FOR TREATING, AMELIORATING, OR PREVENTING VIRAL INFECTIONS TMEM97, SIGMAR1, OPRL1 ALDH1A1 619/4885ESR1 971/4885ADRA2A 44/4885
US-11584852-B2 Compound and colored resin composition H1-0, HRH3, HRH4 ALDH1A1 1902/4885ESR1 1650/4885ADRA2A 1329/4885
US-20210002487-A1 COMPOUND AND COLORED RESIN COMPOSITION H1-0, HRH3, HRH4 ALDH1A1 1902/4885ESR1 1650/4885ADRA2A 1329/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885ESR1 2409/4885ADRA2A 4382/4885

“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.

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