SCHEMBL5834937

SCHEMBL5834937

CCCC(O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 2/20 0.47
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KEAP1 Q14145 1/20 0.42
SLC5A2 P31639 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 1/20 0.39
EGFR P00533 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36

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
SCHEMBL14386089 1.00 NPC1 (0.51) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL12235253 1.00 NPC1 (0.51) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL920229 0.98 NPC1 (0.50) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL7284168 0.90 NPC1 (0.50) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL7269210 0.90 NPC1 (0.50) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL7276887 0.90 NPC1 (0.50) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL6002636 0.89 NPC1 (0.49) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL4440609 0.87 NPC1 (0.57) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL2850953 0.87 NPC1 (0.48) NPC1RAB9AKMT2AHTR1ACES2
SCHEMBL28938264 0.87 NPC1 (0.48) NPC1RAB9AKMT2AHTR1ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223593-A Low optical loss; dihydroperfluoroacrylate polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-06-29 US claimed
EP-2709666-B1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS NV (NL) 2021-07-14 EP disclosed
US-10004810-B2 Bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2018-06-26 US disclosed
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
EP-2709666-A1 BIO-ORTHOGONAL DRUG ACTIVATION Koninklijke Philips N.V. (NL) 2014-03-26 EP disclosed
WO-2012156918-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 WO disclosed
US-7888080-B2 enzymically reducing the corresponding ketones to prepare alkanols; preparing (1S)-3-methylamino-1-(2-thienyl)propan-1-ol and (1S)-3-chloro-1-(2-thienyl)propan-1-ol from 3-methylamino-1-(2-thienyl)propanone and 3-chloro-1-(2-thienyl)propanone; dehydrogenase BASF SE (DE) 2011-02-15 US disclosed
US-7790436-B2 Method for production of (1S)-3-chloro-1-(2-thienyl)-propan-1-ol using alcohol dehydrogenase from thermoanaerobacter BASF SE (DE) 2010-09-07 US disclosed
US-7785847-B2 Method for producing optically active alcohols from alkanones using a dehydrogenase of azoarcus BASF SE (DE) 2010-08-31 US disclosed
US-6284840-B1 MIXING AT LEAST ONE RUBBER AND AT LEAST ONE THERMOPLASTIC OR THERMOPLASTIC ELASTOMER AT A FIRST TEMPERATURE; COOLING THE MIXTURE TO A SECOND TEMPERATURE; HEATING THE SECOND MIXTURE WITH A FREE-RADICAL INITIATOR TO FACILITATE CROSSLINKING. ACUSHNET COMPANY 2001-09-04 US disclosed
US-6245862-B1 GOLF BALL COMPRISING COVER AND CORE LAYER, WHEREIN COVER IS FORMED OF COMPOSITION CONSISTING ESSENTIALLY OF AT LEAST ONE IONOMER FORMED FROM THERMOPLASTIC POLYMER HAVING SULFONATE AND/OR PHOSPHONATE MOIETIES ACUSHNET COMPANY 2001-06-12 US disclosed
WO-2000059583-A1 GOLF BALL CORE COMPOSITIONS CONTAINING HIGH VICAT SOFTENING TEMPERATURE, RESILIENT THERMOPLASTIC MATERIALS ACUSHNET COMPANY (US) 2000-10-12 WO disclosed
US-6001930-A Golf ball forming compositions comprising polyamide blended with sulfonated or phosphonated polymers ACUSHNET COMPANY (US) 1999-12-14 US disclosed
WO-1999061113-A1 GOLF BALLS COMPRISING SULFONATED OR PHOSPHONATED IONOMERS ACUSHNET COMPANY (US) 1999-12-02 WO disclosed
US-5981654-A SINGLE LAYER COVER AND A SINGLE LAYER CORE, WHEREIN THE COVER COMPRISES BLEND OF ONE NONIONOMER POLYMER AND ONE POLYAMIDE POLYMER; RESILIENCE, DISTANCE ACUSHNET COMPANY (US) 1999-11-09 US disclosed
WO-1999032196-A1 GOLF BALL FORMING COMPOSITIONS COMPRISING POLYAMIDE BLENDED WITH SULFONATED OR PHOSPHONATED POLYMERS ACUSHNET COMPANY (US) 1999-07-01 WO disclosed
WO-1998052652-A1 GOLF BALL FORMING COMPOSITIONS COMPRISING POLYAMIDE ACUSHNET COMPANY (US) 1998-11-26 WO disclosed
EP-0599906-A1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. BASF AG (DE) 1994-06-08 EP disclosed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 WO 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS NPC1 4317/4885RAB9A 1583/4885KMT2A 949/4885
US-10004810-B2 Bio-orthogonal drug activation JMJD7, KIT, PAICS NPC1 4317/4885RAB9A 1583/4885KMT2A 949/4885

“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.