SCHEMBL958841

SCHEMBL958841

CC(=O)Nc1ccccc1[O]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 2/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.53
NAPRT Q6XQN6 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
MAOA P21397 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6689158 0.85 ALDH1A1 (0.74) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL8766281 0.81 ALDH1A1 (0.52) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL9721425 0.79 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL1805658 0.79 RXFP1 (0.56) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL5545365 0.79 GAA (0.55) ALDH1A1POLBMAPK1SMN1; SMN2HTT
SCHEMBL6326388 0.79 ALDH1A1 (0.65) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL10828925 0.79 RAB9A (0.45) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL1534062 0.78 CETP (0.65) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL4938228 0.78 KMT2A (0.62) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL29651063 0.78 KMT2A (0.62) ALDH1A1HPGDCYP2C19POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
EP-1427727-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP claimed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO claimed
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US claimed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-0246616-A2 Silver halide color photographic material Fuji Photo Film Co., Ltd. (JP) 1987-11-25 EP disclosed
US-4009038-A CYAN COUPLER, A 2-(2'-HYDROXYPHENYL)BENZOTRIAZOLE FUJI PHOTO FILM CO., LTD. (JA) 1977-02-22 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP ALDH1A1 4570/4885HPGD 2659/4885CYP2C19 2118/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885HPGD 3704/4885CYP2C19 1220/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885HPGD 3704/4885CYP2C19 1220/4885

“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.