SCHEMBL5340218

SCHEMBL5340218

CN(C)[C](c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CES2 O00748 5/20 0.48
CES1 P23141 5/20 0.48
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
HIF1A Q16665 1/20 0.41
RECQL P46063 1/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL27313862 0.81 GAA (0.52) ALDH1A1RAB9AKMT2ANPC1TSHR
SCHEMBL4877612 0.78 ALDH1A1 (0.53) ALDH1A1MAPTRAB9AHSP90AA1CES2
SCHEMBL816507 0.77 ALDH1A1 (0.56) ALDH1A1MAPTRAB9AHSP90AA1CES2
SCHEMBL3281298 0.77 ALDH1A1 (0.56) ALDH1A1MAPTRAB9AHSP90AA1CES2
Benzil SCHEMBL1422480 0.74 CES2 (0.78) ALDH1A1RAB9ACES2CES1NPC1
SCHEMBL815706 0.74 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AHSP90AA1CES2
Trimethylammonium SCHEMBL27814543 0.73 ALDH1A1 (0.52) ALDH1A1MAPTRAB9AHSP90AA1CES2
SCHEMBL2973819 0.72 ALDH1A1 (0.58) ALDH1A1MAPTRAB9AHSP90AA1KMT2A
SCHEMBL30062 0.72 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ACES2CES1
SCHEMBL4039494 0.72 ALDH1A1 (0.58) ALDH1A1MAPTRAB9ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110025823-A A kind of bone cement material and preparation method thereof 太原理工大学 2019-07-19 CN claimed
CN-110025823-A A kind of bone cement material and preparation method thereof 太原理工大学 2019-07-19 CN disclosed
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 US disclosed
US-7229751-B2 Silver salt photothermographic dry imaging material and image forming method using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-06-12 US disclosed
US-7211373-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-05-01 US disclosed
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting ZERIA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-7083908-B2 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2006-08-01 US disclosed
EP-1650189-A1 BENZYLAMINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2006-04-26 EP disclosed
US-6949332-B2 Silver halide emulsion and method of preparing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-09-27 US disclosed
US-20050158675-A9 Photothermographic material FUJIFILM CORPORATION (JP) 2005-07-21 US disclosed
US-6689554-B2 ENHANCED SPEED; SUPPRESSED FOG FUJI PHOTO FILM CO., LTD. (JP) 2004-02-10 US disclosed
US-20040023174-A1 Photothermographic material OHZEKI TOMOYUKI (JP) 2004-02-05 US disclosed
US-6686140-B2 Silver halide photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 2004-02-03 US disclosed
US-20040018454-A1 Silver halide color photosensitive material and photographic product FUJIFILM CORPORATION (JP) 2004-01-29 US disclosed
US-20030224307-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2003-12-04 US disclosed
US-20030224309-A1 Silver halide photosensitive material FUJI PHOTO FILM CO., LTD. 2003-12-04 US disclosed
US-20030207221-A1 Silver halide emulsion and silver halide photographic lightsensitive material FUJI PHOTO FILM CO., LTD. 2003-11-06 US disclosed
US-20030203329-A1 Silver halide photosensitive material FUJI PHOTO FILM CO., LTD. 2003-10-30 US disclosed
US-20030194638-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2003-10-16 US disclosed
EP-1300726-A1 Photothermographic material comprising fragmentable electron donor FUJI PHOTO FILM CO., LTD. (JP) 2003-04-09 EP 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-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting KCNAB1, BDKRB2, ARRB1 ALDH1A1 1065/4885MAPT 4040/4885RAB9A 1811/4885

“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.