SCHEMBL952691

SCHEMBL952691

CCCCB(CCCC)CCCC.[KH]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
TSHR P16473 6/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.33
PCSK9 Q8NBP7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC22A1 O15245 2/20 0.32
SLC22A2 O15244 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 4/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10899969 0.96 ANPEP (0.53) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL1237 0.96 ANPEP (0.53) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL9814415 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL51210 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL3887127 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
Ammonia Solution, Strong SCHEMBL28825800 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
Potassium Ion SCHEMBL22426233 0.89 ANPEP (0.47) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL2078883 0.89 TSHR (0.47) ANPEPTSHRLMNATHRBALDH1A1
Lithium Ion SCHEMBL22426275 0.89 ANPEP (0.47) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL88650 0.85 TSHR (0.50) ANPEPTSHRLMNATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314237-B2 Preparation of 10-keto morphinans by benzylic oxidation MALLINCKRODT LLC (US) 2012-11-20 US claimed
WO-2011034747-A1 PREPARATION OF 10-KETO MORPHINANS BY BENZYLIC OXIDATION MALLINCKRODT INC. (US) 2011-03-24 WO claimed
US-20110071296-A1 Preparation of 10-Keto Morphinans by Benzylic Oxidation MALLINCKRODT INC. (US) 2011-03-24 US claimed
US-20250250216-A1 CYCLIC COMPOUND HAVING IODINE ATOM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-08-07 US disclosed
US-20250145617-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF WASHINGTON UNIVERSITY 2025-05-08 US disclosed
WO-2025033019-A1 COMPOUND, COMPOSITION, METHOD FOR EXPRESSING SENSITIZING EFFECT, AND PRODUCTION METHOD 三菱瓦斯化学株式会社 2025-02-13 WO disclosed
US-20240383845-A1 NAPHTHALENEDITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION PROCESS AND USE FOR THE SAME SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-11-21 US disclosed
WO-2024214321-A1 COMPOUND, COMPOSITION, METHOD FOR EXPRESSING SENSITIZING EFFECT, AND METHOD FOR PRODUCING SAME 三菱瓦斯化学株式会社 2024-10-17 WO disclosed
US-12077559-B2 Process for the preparation of 3α-hydroxy-5α-pregnan-20-one (brexanolone) INDUSTRIALE CHIMICA S.R.L. (IT) 2024-09-03 US disclosed
WO-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 WO disclosed
EP-4378928-A1 NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-06-05 EP disclosed
EP-0930296-A1 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS COMPANY LTD. (JP) 1999-07-21 EP disclosed
US-5886035-A PREVENTIVE AND THERAPEUTICAL MEDICINE FOR EYE DISEASE ASAHI GLASS COMPANY LTD. (JP) 1999-03-23 US disclosed
EP-0850926-A2 Difluoroprostaglandin derivatives and their use ASAHI GLASS COMPANY LTD. (JP) 1998-07-01 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed
US-4756742-A Herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-12 US disclosed
EP-0092787-A1 Process for the preparation of a phenylalkylaminoethylsalicylamide SCHERING CORPORATION (US) 1983-11-02 EP disclosed
EP-0009702-B1 A PHENYLALKYLAMINOETHYLSALICYLAMIDE, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT SCHERING CORPORATION (US) 1981-11-04 EP disclosed
EP-0009702-A1 A phenylalkylaminoethylsalicylamide, its preparation and pharmaceutical compositions containing it SCHERING CORPORATION (US) 1980-04-16 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 (5 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-20110071296-A1 Preparation of 10-Keto Morphinans by Benzylic Oxidation MB, AKR1B10, POR ANPEP 3307/4885TSHR 4161/4885LMNA 923/4885
US-20250250216-A1 CYCLIC COMPOUND HAVING IODINE ATOM IGF1R, SSTR1, CCNI ANPEP 4602/4885TSHR 19/4885LMNA 3507/4885
US-20240383845-A1 NAPHTHALENEDITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION PROCESS AND USE FOR THE SAME HSD11B1, DHCR7, CYP17A1 ANPEP 3675/4885TSHR 3628/4885LMNA 2311/4885
US-12077559-B2 Process for the preparation of 3α-hydroxy-5α-pregnan-20-one (brexanolone) CYP17A1, HSD17B7, CYP21A2 ANPEP 4603/4885TSHR 188/4885LMNA 3232/4885
US-20250145617-A1 SIGMA-2 RECEPTOR LIGAND DRUG CONJUGATES AS ANTITUMOR COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF SIGMAR1, TMEM97, AIFM2 ANPEP 4300/4885TSHR 204/4885LMNA 4282/4885

“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.