SCHEMBL2840499

SCHEMBL2840499

CCC(CC)Oc1ccc(C=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
TSHR P16473 1/20 0.66
FDPS P14324 1/20 0.61
TTR P02766 1/20 0.53
HPGD P15428 5/20 0.51
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL6864799 0.94 ALDH1A1 (0.66) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL28373705 0.91 ALDH1A1 (0.58) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL28288253 0.91 ALDH1A1 (0.58) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL8754432 0.90 ALDH1A1 (0.66) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL1748352 0.86 ALDH1A1 (0.58) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL30262330 0.86 ALDH1A1 (0.64) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL28283163 0.86 ALDH1A1 (0.64) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL28208512 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSTTRHPGD
SCHEMBL7379233 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSTTRHPGD
3,4-Dimethoxybenzaldehyde SCHEMBL10966976 0.83 ALDH1A1 (0.81) ALDH1A1TSHRFDPSTTRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799427-B1 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 EP disclosed
CN-107905036-A A kind of production method of long-acting cigarette with sweet taste tipping paper 高邮市卫星卷烟材料有限公司 2018-04-13 CN disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
CN-103445286-B A kind of preparation method containing black vanilla reconstituted tobacoo CHINA TOBACCO HUNAN INDUSTRIAL CO., LTD. (CN) 2015-08-19 CN disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
EP-2799427-A1 Therapeutic compounds Fibrotech Therapeutics PTY LTD (AU) 2014-11-05 EP disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 US disclosed
EP-2035369-B1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-06-25 EP disclosed
EP-2035369-B1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-06-25 EP disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 US disclosed
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 ALDH1A1 201/4885TSHR 4230/4885FDPS 681/4885
US-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC ALDH1A1 199/4885TSHR 4280/4885FDPS 668/4885

“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.