SCHEMBL8951998

SCHEMBL8951998

CC(=O)C(C)(C)Cc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOB P27338 1/20 0.40
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.39
CTBP2 P56545 1/20 0.39
SRD5A2 P31213 1/20 0.39
ESR1 P03372 1/20 0.39
GHSR Q92847 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4457891 0.83 BLM (0.47) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL12659250 0.83 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2BLM
SCHEMBL10767808 0.82 LMNA (0.42) NPC1RAB9AMAOBBLMESR1
SCHEMBL9626513 0.82 RIPK1 (0.47) HPGDSMN1; SMN2MAOBBLML3MBTL1
SCHEMBL5728540 0.82 CES2 (0.41) HPGDBLMMAPTESR1ALDH1A1
SCHEMBL10383881 0.82 SLC6A4 (0.53) NPC1RAB9ASMN1; SMN2MAOBMAPT
SCHEMBL2442200 0.82 EPHX2 (0.47) LMNA
SCHEMBL6552350 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNA
SCHEMBL5729103 0.80 PPARA (0.49) BLMESR1THRATHRBTDP1
SCHEMBL2444598 0.80 HPGD (0.46) HPGDNPC1RAB9ASMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157168-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA-INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS LDA (PT) 2017-06-08 US disclosed
US-20140212514-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS, LDA. (PT) 2014-07-31 US disclosed
US-7968605-B2 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA—Investigação e Desenvolvimento de Produtos Farmacêuticos, Lda. (PT) 2011-06-28 US disclosed
US-20110038955-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS, LDA. (PT) 2011-02-17 US disclosed
US-20100196516-A1 TREATMENT OF INFECTIONS BY CARBON MONOXIDE ALFAMA-Investigacao e Desenvolvimento de produtos Farmaceuticos, Lda (PT) 2010-08-05 US disclosed
US-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2008-01-31 US disclosed
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUCTOS FARMACEUTICOS LDA (PT) 2007-09-20 US disclosed
US-5502233-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0572440-B1 SUBSTITUDED PYRIDYLPYRIMIDINES, THEIR PREPARATION AND THEIR USE, AS WELL AS NEW INTERMEDIATE PRODUCTS BAYER AG (DE) 1995-08-02 EP disclosed
US-5416088-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
EP-0572440-A1 SUBSTITUDED PYRIDYLPYRIMIDINES, THEIR PREPARATION AND THEIR USE, AS WELL AS NEW INTERMEDIATE PRODUCTS. BAYER AG (DE) 1993-12-08 EP disclosed
WO-1992014726-A1 SUBSTITUDED PYRIDYLPYRIMIDINES, THEIR PREPARATION AND THEIR USE, AS WELL AS NEW INTERMEDIATE PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1992-09-03 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 (6 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-20110038955-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 HPGD 34/4885NPC1 2556/4885RAB9A 2933/4885
US-20080026984-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 HPGD 135/4885NPC1 1245/4885RAB9A 3850/4885
US-20170157168-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 HPGD 34/4885NPC1 2556/4885RAB9A 2933/4885
US-20070219120-A1 Methods for treating inflammatory disease by administering aldehydes and derivatives thereof MPO, TNF, AOX1 HPGD 135/4885NPC1 1245/4885RAB9A 3850/4885
US-20100196516-A1 TREATMENT OF INFECTIONS BY CARBON MONOXIDE MB, IFNG, CORO1C HPGD 946/4885NPC1 1113/4885RAB9A 3211/4885
US-20140212514-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 HPGD 34/4885NPC1 2556/4885RAB9A 2933/4885

“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.