SCHEMBL19860205

SCHEMBL19860205

C=C1CCCc2ccc(OCc3cc(C(C)=O)ccc3C(=O)OCc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.47
▸ MAOA P21397 4/20 0.47
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ RXRB P28702 4/20 0.42
▸ RXRA P19793 3/20 0.42
▸ RXRG P48443 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 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
SCHEMBL18924926 0.90 MAOB (0.61) MAOBMAOANPC1RAB9ARXRB
SCHEMBL21304984 0.81 MAOB (0.42) MAOBMAOANPC1RAB9ARXRB
SCHEMBL19667435 0.70 MAOB (0.58) MAOBNPC1RAB9AMAPTALDH1A1
SCHEMBL17332116 0.70 MAOA (0.55) MAOBMAOANPC1RAB9ARXRB
SCHEMBL24405176 0.69 TDP1 (0.54) MAOBNPC1RAB9AMAPTALDH1A1
SCHEMBL18924892 0.69 MAOB (0.68) MAOBMAOANPC1RAB9AMAPT
SCHEMBL17958912 0.68 MAOB (0.59) MAOBNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL7949182 0.67 MAOB (0.59) MAOBRAB9AALDH1A1L3MBTL1POLB
SCHEMBL15158561 0.66 MAOA (0.61) MAOBMAOANPC1RAB9AMAPT
SCHEMBL7373666 0.66 ALDH1A1 (0.61) MAOBNPC1RAB9AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 — — US disclosed
US-9890134-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2018-02-13 — — 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-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 MAOB 1117/4885MAOA 1588/4885NPC1 867/4885

“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.

Send feedback