SCHEMBL624537

SCHEMBL624537

O=C1CCCCC1=Cc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
MAPT P10636 2/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
EGFR P00533 2/20 0.51
XDH P47989 1/20 0.51
PLAU P00749 2/20 0.46
KMT2A Q03164 2/20 0.46
PLAT P00750 1/20 0.46
HSD11B1 P28845 2/20 0.46
F3 P13726 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
F2 P00734 3/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL21612525 1.00 AKR1C3 (0.62) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL3438398 1.00 AKR1C3 (0.62) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL1524863 0.96 AKR1C3 (0.68) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL809546 0.96 AKR1C3 (0.68) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL625119 0.96 AKR1C3 (0.68) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL14033871 0.82 AKR1C3 (0.65) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL17899490 0.82 EGFR (0.69) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL14034063 0.82 AKR1C3 (0.65) AKR1C3AKR1C1MAPTRAB9ANPC1
SCHEMBL30969583 0.82 EGFR (0.69) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL182195 0.81 HSD11B1 (0.70) AKR1C3AKR1C1MAPTRAB9ANPC1

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
CN-117945872-A Method for synthesizing disubstituted dienone compound by catalysis of binuclear titanium complex 陕西师范大学 2024-04-30 CN disclosed
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US disclosed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO disclosed
US-9409845-B2 Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2016-08-09 US disclosed
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2015-09-17 US disclosed
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
US-4652559-A ANALGESIC, ANTIDEPRESSANT THE UPJOHN COMPANY (US) 1987-03-24 US disclosed
EP-0085811-B1 2-(PHENYLMETHYLENE)CYCLOALKYLAMINES THE UPJOHN COMPANY (US) 1986-05-07 EP disclosed
US-4540690-A ANALGESICS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1985-09-10 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 (3 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 AKR1C3 86/4885AKR1C1 200/4885MAPT 4506/4885
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 AKR1C3 701/4885AKR1C1 1163/4885MAPT 4878/4885
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof EGFR, KDR, BMI1 AKR1C3 167/4885AKR1C1 104/4885MAPT 4173/4885

“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.