SCHEMBL6470787

SCHEMBL6470787

[CH2]CCCOc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.57
KCNH2 Q12809 1/20 0.57
HRH3 Q9Y5N1 5/20 0.53
KDM4E B2RXH2 2/20 0.53
WDR5 P61964 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.49
FFAR1 O14842 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48

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
SCHEMBL8778541 0.93 HRH3 (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL28540629 0.93 HRH3 (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL2000837 0.90 LMNA (0.59) DRD2DRD4LMNAMAPK1HTT
SCHEMBL9808215 0.86 LMNA (0.67) DRD2DRD4LMNAMAPK1HTT
SCHEMBL1685432 0.84 DRD2 (0.62) DRD2DRD4LMNAMAPK1HTT
SCHEMBL9774806 0.82 DRD2 (0.60) DRD2DRD4LMNAMAPK1HTT
SCHEMBL535552 0.82 WDR5 (0.55) DRD2DRD4LMNAMAPK1HTT
SCHEMBL366494 0.81 LMNA (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL6846799 0.81 DRD2 (0.58) DRD2DRD4LMNAMAPK1HTT
SCHEMBL5825855 0.81 KMT2A (0.60) DRD2DRD4LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1252048-C Process for the preparation of an enantiomerically enriched thio compound DSM IP NV (NL) 2006-04-19 CN disclosed
US-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
CN-1602300-A Process for preparing enantiomerically enriched thio compounds DSM IP NV (NL) 2005-03-30 CN disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 WO disclosed
EP-0163895-B1 PROCESS FOR THE DIASTEREOSELECTIVE REDUCTION OF ALPHA-TRIAZOLYL KETONES TO BETA-TRIAZOLYL CARBINOLS BASF Aktiengesellschaft (DE) 1989-04-12 EP disclosed
US-4748250-A Diastereoselective reduction of alpha-triazolylketones to betatriazolylcarbinols BASF AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0163895-A1 Process for the diastereoselective reduction of alpha-triazolyl ketones to beta-triazolyl carbinols BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 EP disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC DRD2 2609/4885DRD4 1726/4885LMNA 4784/4885

“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.