SCHEMBL2803641

SCHEMBL2803641

CCCC(=O)c1cc(N)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ RECQL P46063 3/20 0.59
▸ HPGD P15428 2/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ THRB P10828 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TNF P01375 1/20 0.56
▸ HSPD1 P10809 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ KDR P35968 1/20 0.56
▸ BRCA1 P38398 1/20 0.56

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
SCHEMBL2805592 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL11756405 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL11758541 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL11760658 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL2806542 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL11705327 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL2833868 0.87 HTT (0.56) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL10713704 0.85 ALDH1A1 (0.60) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL11582937 0.82 MEN1 (0.61) TDP1ALDH1A1RECQLHPGDALOX15
SCHEMBL12812132 0.82 MEN1 (0.49) TDP1ALDH1A1RECQLHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0218768-A2 Compositions containing antimicrobial agents in combination with stabilizers MORTON THIOKOL, INC. (US) 1987-04-22 — — EP claimed
US-4624679-A Compositions containing antimicorbial agents in combination with stabilizers MORTON THIOKOL, INC. (US) 1986-11-25 — — US claimed
US-8273273-B2 Manufacturing method for optical film KONICA MINOLTA OPTO, INC. (JP) 2012-09-25 — — US disclosed
US-20100239789-A1 Optical Film, Manufacturing Method for Optical Film, Polarizing Plate and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2010-09-23 — — US disclosed
US-7582783-B2 Analgesics, anaesthetics, antifoulants, aversants, irritants, incapacitants and compositions containing the same WHITE FLOWER ASSOCIATES LLP (US) 2009-09-01 — — US disclosed
US-20070225515-A1 Analgesics, anaesthetics, antifoulants, aversants, irritants, incapacitants and compositions containing the same WHITE FLOWER ASSOCIATES LLP (US) 2007-09-27 — — US disclosed
EP-0622354-B1 Improved process for preparing acyl aminophenols HOECHST CELANESE CORP (US) 1999-06-02 — — EP disclosed
US-5648535-A HYDROGENATION AND ACYLATION OF AMINOPHENOLS WITH ACYL ANHYDRIDES HOECHST CELANESE CORP. (US) 1997-07-15 — — US disclosed
EP-0622354-A2 Improved process for preparing acyl aminophenols HOECHST CELANESE CORPORATION (US) 1994-11-02 — — EP disclosed
US-4891391-A ANTIOXIDANTS, THERMOPLASTIC RESINS MORTON THIOKOL, INC. (US) 1990-01-02 — — US disclosed
EP-0218768-A2 Compositions containing antimicrobial agents in combination with stabilizers MORTON THIOKOL, INC. (US) 1987-04-22 — — EP disclosed
US-4654082-A ROSIN, PIGMENT, NONSMEARING MOBIL OIL CORPORATION (US) 1987-03-31 — — US disclosed
US-4624679-A Compositions containing antimicorbial agents in combination with stabilizers MORTON THIOKOL, INC. (US) 1986-11-25 — — US disclosed
US-4077807-A Ball pen inks which do not form clogging crystalline masses within copper or copper alloy ink cartridges Lacy, Gordon S. (US) 1978-03-07 — — 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-20070225515-A1 Analgesics, anaesthetics, antifoulants, aversants, irritants, incapacitants and compositions containing the same ACHE, BCHE, TRPA1 TDP1 309/4885ALDH1A1 1031/4885RECQL 1576/4885

“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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