SCHEMBL3029409

SCHEMBL3029409

COC(=O)c1ccc2c(c1)COC2=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
HSD17B10 Q99714 1/20 0.55
PRF1 P14222 4/20 0.51
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ROCK2 O75116 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPRC P08575 1/20 0.47
IMPDH2 P12268 1/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL11249792 0.88 MAPT (0.53) MAPTHSD17B10GAACYP3A4ALDH1A1
SCHEMBL7695944 0.84 MAPT (0.50) MAPTHSD17B10PRF1LMNAGAA
SCHEMBL7780577 0.84 PRF1 (0.51) MAPTHSD17B10PRF1LMNAGAA
SCHEMBL7781294 0.84 MAPT (0.49) MAPTHSD17B10PRF1LMNAGAA
SCHEMBL3039890 0.84 PRF1 (0.70) MAPTHSD17B10PRF1LMNAGAA
SCHEMBL751196 0.82 KDM4E (0.57) MAPTHSD17B10GAAKDM4EALDH1A1
SCHEMBL1917980 0.82 ALDH1A1 (0.54) MAPTHSD17B10GAANPC1KDM4E
SCHEMBL1466724 0.82 MAPT (0.58) MAPTHSD17B10PRF1LMNAGAA
Hydrochloric Acid SCHEMBL18149161 0.82 MAPT (0.50) MAPTHSD17B10PRF1LMNAGAA
SCHEMBL7636169 0.81 PRF1 (0.68) MAPTHSD17B10PRF1LMNAGAA

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
EP-3356338-B1 METHODS FOR SYNTHESIZING RHODAMINE DYES PROMEGA CORP (US) 2020-06-17 EP disclosed
EP-3356338-A1 METHODS FOR SYNTHESIZING RHODAMINE DYES Promega Corporation (US) 2018-08-08 EP disclosed
US-20170096560-A1 METHODS FOR SYNTHESIZING RHODAMINE DYES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-04-06 US disclosed
US-7687645-B2 Intermediates for the preparation of citalopram and escitalopram H. LUNDBECK A/S (DK) 2010-03-30 US disclosed
US-20080058536-A1 Intermediates for the preparation of citalopram and escitalopram H. LUNDBECK A/S (DK) 2008-03-06 US disclosed
EP-1611118-A2 INTERMEDIATES FOR THE PREPARATION OF CITALOPRAM AND ESCITALOPRAM H. LUNDBECK A/S (DK) 2006-01-04 EP disclosed
WO-2004083197-A2 INTERMEDIATES FOR THE PREPARATION OF CITALOPRAM AND ESCITALOPRAM H. LUNDBECK A/S (DK) 2004-09-30 WO disclosed
EP-0911320-B1 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 2002-07-24 EP disclosed
US-6114325-A 1,2-di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2000-09-05 US disclosed
CN-1224712-A 1,2-Di-substituted benzene-carboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 1999-08-04 CN disclosed
EP-0911320-A2 1,2-Di-substituted benzenecarboxamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 1999-04-28 EP disclosed
US-4041173-A ANTI-ASTHMATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-09 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-20080058536-A1 Intermediates for the preparation of citalopram and escitalopram SLC6A4, HTR4, HTR3C MAPT 177/4885HSD17B10 63/4885PRF1 4861/4885

“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.