SCHEMBL5825166

SCHEMBL5825166

Cc1ccccc1OCCCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GLA P06280 1/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 3/20 0.50
HPGD P15428 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD3 P35462 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3433833 0.91 CYP2D6 (0.56) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL6304558 0.89 ALDH1A1 (0.56) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL20530525 0.88 ALDH1A1 (0.58) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL20530589 0.88 ALDH1A1 (0.58) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL1592876 0.86 TDP1 (0.60) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL11679951 0.84 CYP2D6 (0.61) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL9808080 0.84 ALDH1A1 (0.62) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL6848695 0.84 KDM4E (0.54) ALDH1A1TDP1CYP2D6CYP2C19HPGD
SCHEMBL6205320 0.82 ALDH1A1 (0.52) ALDH1A1GLATDP1CYP2D6CYP2C19
SCHEMBL10491992 0.80 ALDH1A1 (0.55) ALDH1A1GLATDP1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
CN-108368194-B Method for producing (meth) acryloyl group-terminated polyisobutylene polymer 株式会社钟化 2021-03-19 CN disclosed
US-10604598-B2 Method of producing (meth)acryloyl-terminated polyisobutylene polymer KANEKA CORPORATION (JP) 2020-03-31 US disclosed
WO-2020015717-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-23 WO disclosed
WO-2020011243-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-16 WO disclosed
CN-106146450-B Formoononetin derivative, preparation method and medical usage 南京华迈生物医药科技有限公司 2019-02-15 CN disclosed
US-20180362676-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER KANEKA CORPORATION (JP) 2018-12-20 US disclosed
EP-3388454-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER Kaneka Corporation (JP) 2018-10-17 EP disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
CN-106146450-A Formoononetin derivant, its preparation method and medical usage 南京华迈生物医药科技有限公司 2016-11-23 CN disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 WO disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2003/4885GLA 2520/4885TDP1 1586/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2059/4885GLA 2080/4885TDP1 2348/4885

“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.